ABCDEFGHIJKLMNOPQRSTUVWXYZAAABACADAEAFAGAHAIAJAKALAMANAOAPAQARASATAUAVAWAXAYAZBABB
1
OSA No.SaltBatchTargetTarget % activitySMILES_parentImgNameInChiKeyVendorID/ LabNotebook ID/Other CodeMW_parentFragalysis_refSourceStatusWiki linkMountingResultDataCollectionOutcomeLigandBoundChEMBLDrugbankPDBligandGuide to PharmDrugs of the FutureKegg LigandChEBINIH ClinicalZINCeMoleculesIBM IPGene ExpressionNFDA SubstanceSureChEMBL PatentsPharmGKBHuman MetabSelleckThomson PharmaPubchemMculeNMR shift DBNetworksToxicology ResourceMolPortJapanese ChemicalsBindingDBCompToxLipidmapsDrugCentralCarotenoid MetabolightsBrendarheachemicalbookswisslipidsgsrs
12
OSA_001041XX01MurCCN1C(N)=CC(C(C)(C)C)=N1
3-(tert-butyl)-1-methyl-1H-pyrazol-5-amineXSCDSAMVQLKDNI-UHFFFAOYSA-NWYH5-X-P153.23
13
OSA_001042XX01MurCCC(C)(C)C1=NN(C)C(NC(NC2=CC=C(Cl)C=C2)=O)=C1
1-(3-(tert-butyl)-1-methyl-1H-pyrazol-5-yl)-3-(4-chlorophenyl)ureaFWIJKWMXNHRSRO-UHFFFAOYSA-NWYH6-X-P306.79
14
OSA_001043XX01MurCClC1=NC2=C(C=NN2)C(NC3=NNC(C(C)C)=C3)=N1
6-chloro-N-(5-isopropyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineSIOMWOBKQAVWMK-UHFFFAOYSA-NWYH8-X-P277.72
15
OSA_001044XX01MurCCC(C)C1=CC(NC2=NC(N[C@@H](CO)C3CCCCC3)=NC4=C2C=NN4)=NN1
(R)-2-cyclohexyl-2-((4-((5-isopropyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)ethan-1-olISQKTZJQIVTQSH-HNNXBMFYSA-NWYH9-X-P384.49
16
OSA_001045XX01MurCCC(C)(C)C1=CC(N2C(C)=CC=C2C)=NN1
5-(tert-butyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)-1H-pyrazoleOEMSXMRZOUJFOH-UHFFFAOYSA-NWYH11-X-P217.32
17
OSA_001046XX01MurCCC(C)(C)C1=NN(C)C(N2C(C)=CC=C2C)=C1
3-(tert-butyl)-5-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazoleGJEZAWGSKCLSGW-UHFFFAOYSA-NWYH12-X-P1231.34
18
OSA_001047XX01MurCCC(C)(C)C1=CC(N2C(C)=CC=C2C)=NN1C
5-(tert-butyl)-3-(2,5-dimethyl-1H-pyrrol-1-yl)-1-methyl-1H-pyrazoleTZHZITZMYWTHSP-UHFFFAOYSA-NWYH12-X-P2231.34
19
OSA_001048XX01MurCCN1C(C(C)(C)C)=CC(N)=N1
5-(tert-butyl)-1-methyl-1H-pyrazol-3-amineKYZWYUQUBBZLPO-UHFFFAOYSA-NWYH13-X-P153.23
20
OSA_001049XX01MurCCC(C)(C)C1=CC(NC(NC2=CC=C(Cl)C=C2)=O)=NN1C
1-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-3-(4-chlorophenyl)ureaPSTXVVILKIZARC-UHFFFAOYSA-NWYH15-X-P306.79
21
OSA_001050XX01MurCCN1C(C(C)(C)C)=CC(NC2=NC(Cl)=NC3=C2C=NN3)=N1
N-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-6-chloro-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FODXCYLKXVFESG-UHFFFAOYSA-N
WYH16-X-P305.77
22
OSA_001051XX01MurCCC(C)(C)C1=CC(NC2=NC(N[C@H](CO)C3=CC=CC=C3)=NC4=C2C=NN4)=NN1C
(S)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)-2-phenylethan-1-ol
MOLGZLFXZJMRCB-OAHLLOKOSA-N
WYH17-X-P406.49
23
OSA_001071XX01MurCOC[C@H](NC1=NC2=C(C=NN2)C(NC3=NN(C)C(C(C)(C)C)=C3)=N1)C4=CC=CC=C4
(R)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)-2-phenylethan-1-olMOLGZLFXZJMRCB-HNNXBMFYSA-NWYH25-1-P406.49
24
OSA_001095xx01MurCNC[C@H](NC1=NC2=C(C=NN2)C(NC3=NN(C)C(C(C)(C)C)=C3)=N1)C4=CC=CC=C4
(R)-N6-(2-amino-1-phenylethyl)-N4-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamineDINXXNJQQKPNGS-HNNXBMFYSA-NWYH22-1-P405.51
25
OSA_001095xx02MurCNC[C@H](NC1=NC2=C(C=NN2)C(NC3=NN(C)C(C(C)(C)C)=C3)=N1)C4=CC=CC=C4
(R)-N6-(2-amino-1-phenylethyl)-N4-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamineDINXXNJQQKPNGS-HNNXBMFYSA-NWYH22-2-P405.51
26
OSA_001111XX01MurCCC(C)(C)C1=CC(NC2=C3C(NN=C3)=NC(N[C@@H](CC4)CC[C@H]4N)=N2)=NN1C
N6-((1r,4r)-4-aminocyclohexyl)-N4-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diaminePGFATVWGNSDBAF-HAQNSBGRSA-NWYH30-1-P383.5
27
OSA_001112XX01MurCCC(C)(C)C1=CC(NC2=C3C(NN=C3)=NC(NCCOCCOCCN)=N2)=NN1C
N6-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-N4-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
GYAFMGRTCRSKGQ-UHFFFAOYSA-NWYH32-1-P417.52
28
OSA_001174FA01MurCCC(C)(C)C1=CC(NC2=NC(NC3CCC(NC(N)=N)CC3)=NC4=C2C=NN4)=NN1C
1-(4-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)cyclohexyl)guanidine
COHCMYHZVFQCSM-UHFFFAOYSA-NWYH76-1-P (WYH30-G)425.5
29
OSA_001175XX01MurCCC(C)(C)C1=CC(NC2=NC(N[C@H]3[C@H](O)CC4=CC=CC=C43)=NC5=C2C=NN5)=NN1C
(1R,2R)-1-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)-2,3-dihydro-1H-inden-2-ol
OTFLFRAEUDDJKT-CRAIPNDOSA-NWYH77-1-P418.5
30
OSA_001176XX01MurCCC(C)(C)C1=CC(NC2=NC(N[C@H]3[C@@H](O)CC4=CC=CC=C43)=NC5=C2C=NN5)=NN1C
(1R,2S)-1-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)-2,3-dihydro-1H-inden-2-ol
OTFLFRAEUDDJKT-MAUKXSAKSA-NWYH78-1-P418.5
31
OSA_001177FA01MurCCC(C)(C)C1=CC(NC2=NC(N[C@H]3CC4=C(C=CC=C4)[C@@H]3N)=NC5=C2C=NN5)=NN1C
N6-((1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl)-N4-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
XSKJBNCXGBWYOO-YJBOKZPZSA-NWYH85-2-P417.5
32
OSA_001178FA01MurCCC(C)(C)C1=CC(NC2=NC(N[C@@H]3CC4=C(C=CC=C4)[C@H]3N)=NC5=C2C=NN5)=NN1C
N6-((1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl)-N4-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
XSKJBNCXGBWYOO-CRAIPNDOSA-NWYH86-2-P417.5
33
OSA_001179FA01MurCWYH87-1-P459.6
34
OSA_001180FA01MurCCC(C)(C)C1=CC(NC2=NC(N[C@@H]3CC4=C(C=CC=C4)[C@H]3NC(N)=N)=NC5=C2C=NN5)=NN1C
1-((1R,2R)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)amino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)-2,3-dihydro-1H-inden-1-yl)guanidine
JHDIHLQPZRBFCN-CRAIPNDOSA-NWYH88-1-P459.6
35
OSA_001181XX01MurCWYH23/24-X-P
36
OSA_001182XX01MurCWYH54-X-P
37
OSA_001183XX01MurCWYH62-X-P
38
OSA_001184XX01MurCWYH61-X-P
39
OSA_001201XX01MurC
NC1=NC(NC2=NNC(C(C)(C)C)=C2)=C3C(NN=C3)=N1
N4-(5-(tert-butyl)-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
WQXHYTAUJLYLSF-UHFFFAOYSA-N
WYH_TR1-4-1-P272.3
40
OSA_001202XX01MurC
WYH22-R-Boc (WYH21-R-P)
41
OSA_001203XX01MurCNC1=NC(NC2=NN(C)C(C(C)(C)C)=C2)=C3C(NN=C3)=N1N4-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamineBDEUAKAPFVRQSD-UHFFFAOYSA-NWYH_TR1-5-1-P286.3
42
OSA_001204XX01MurCCC(C)(C)C1=CC(NC2=C3C(NN=C3)=NC(OCCCC)=N2)=NN1C6-butoxy-N-(5-(tert-butyl)-1-methyl-1H-pyrazol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amineYYTTZHUMGWXUCV-UHFFFAOYSA-NWYH17-X-BP343.4
43
OSA_001205XX01MurCWYH_TR6-4-3-PWYH_TR6-4-3-P358.4
44
OSA_001206XX01MurCWYH_TR6-8-PWYH_TR6-8-P
45
OSA_001207XX01MurCWYH22-rac
46
OSA_001208XX01MurCWYH22-R-GBoc
47
OSA_001209XX01MurCWYH22-rac-GBoc
48
OSA_001210XX01MurCWYH32-G
49
OSA_001211XX01MurCWYH22-R-G
50
OSA_001212XX01MurCWYH22-rac-G
51
OSA_000001MurD79.6CN1CCN(CC1)c1ccc(cc1)C#N
4-(4-methylpiperazin-1-yl)benzonitrileZSDPKKGOSKXEHN-UHFFFAOYSA-NZ2856434840201.27MURD-x0349FragLibraryIn Libraryhttps://github.com/opensourceantibiotics/murligase/wiki/MurD-fragment-screenZINC000000236863.859595261DF2DE2905A04D3FC95058666494DDSCHEMBL151261763205MCULE-3957797171MolPort-000-894-567J1.186.427IDTXSID30354088
52
OSA_000002MurD79.6CN1CCN(CC1)C(=O)NC1=CC=C(F)C=C1
N-(4-fluorophenyl)-4-methylpiperazine-1-carboxamideMDBPFVSVLGYVCQ-UHFFFAOYSA-NZ2856434944237.28MURD-x0373FragLibraryIn Libraryhttps://github.com/opensourceantibiotics/murligase/wiki/MurD-fragment-screenAWDZINC000000386890.1467788C75AA6C64E59D4D569D5A305E87650A6SCHEMBL10053027851986MCULE-1085231672MolPort-001-889-175J153.485H
53
OSA_000003MurDCC(CO)(CO)NC(=O)Nc1ccccc1
3-(1,3-dihydroxy-2-methylpropan-2-yl)-1-phenylureaNLGYHTMGWVQQIL-UHFFFAOYSA-NZ57472297224.26MURD-x0374FragLibraryIn Libraryhttps://github.com/opensourceantibiotics/murligase/wiki/MurD-fragment-screenAYVZINC0000004086286594314056614MCULE-1218000011
54
OSA_000004MurD72.4CC(C(Nc1cc(C#N)ccc1)=O)C
N-(3-cyanophenyl)-2-methylpropanamideJWBISRKEEZGPFB-UHFFFAOYSA-NZ26548083188.23MURD-x0378FragLibraryIn Libraryhttps://github.com/opensourceantibiotics/murligase/wiki/MurD-fragment-screenZINC00000925403031406591BFF73936E3D5C2A2195B9E9EB364CAA2SCHEMBL459903216383207MCULE-2084722473MolPort-004-354-760
55
OSA_000738MurD-22.2O=C(C1CCN(C)CC1)NC2=CC=C(F)C=C2
N-(4-fluorophenyl)-1-methylpiperidine-4-carboxamideFFVXKXJVYNMPKL-UHFFFAOYSA-NDMK75-2-A236.2995968061
56
OSA_000739MurD24.7O=C(C1CCN(C)C1)NC2=CC=C(F)C=C2
N-(4-fluorophenyl)-1-methylpyrrolidine-3-carboxamideRLOXACRLJWMWPU-UHFFFAOYSA-NDMK79-1-A222.26110858666
57
OSA_000740MurD22.4O=C(C1CCN(C)CC1)NC2=CC=CC=C2
1-methyl-N-phenylpiperidine-4-carboxamideCZZZAQIBVXXNRC-UHFFFAOYSA-NDMK76-1-A218.323377552
58
OSA_000741MurD136CN1CCC(C(NC2=CC=C(Cl)C=C2)=O)CC1
N-(4-chlorophenyl)-1-methylpiperidine-4-carboxamideHDVFKDCTFBLIGZ-UHFFFAOYSA-NDMK90-1-A252.7495968063
59
OSA_000743MurD107O=C(C1CCN(C)CC1)NC2=CC=C(Cl)C(Cl)=C2
N-(3,4-dichlorophenyl)-1-methylpiperidine-4-carboxamideKOCUBRJDCKLJCJ-UHFFFAOYSA-NDMK101-1-A287.1868317877
60
OSA_000744MurD114O=C(C1CCN(C)CC1)NC2=CC=CC3=C2C=CC=C3
1-methyl-N-(naphthalen-1-yl)piperidine-4-carboxamideXPWQQCGWCGOQQG-UHFFFAOYSA-NDMK81-4-A268.3699817646
61
OSA_000745MurD71.4O=C(C1CCN(C)CC1)NC2=CC=CC(O)=C2
N-(3-hydroxyphenyl)-1-methylpiperidine-4-carboxamideXAQXZAPPHDDIRP-UHFFFAOYSA-NDMK85-2-A234.3
62
OSA_000746MurD29.6O=C(C1CCN(C)CC1)NC2=CC=C(O)C=C2
N-(4-hydroxyphenyl)-1-methylpiperidine-4-carboxamideYOBBRZGGOJZMSA-UHFFFAOYSA-NDMK98-1-B234.3
63
OSA_000747MurD103CN1CCC(C(NC2=CC=C(OC)C=C2)=O)CC1
N-(4-methoxyphenyl)-1-methylpiperidine-4-carboxamideVIDFQXVHRPPTSE-UHFFFAOYSA-NDMK92-1-A248.3395968070
64
OSA_000748MurD126OC(C(Br)=C1)=CC=C1NC(C2CCN(C)CC2)=O
N-(3-bromo-4-hydroxyphenyl)-1-methylpiperidine-4-carboxamideOKUOAWCXQVKURI-UHFFFAOYSA-NDMK104-1-B313.2
65
OSA_000750MurD133O=C(C1CCN(C)CC1)NC2=CC=CC=C2Br
N-(2-bromophenyl)-1-methylpiperidine-4-carboxamideLKXFVAFVNYONFT-UHFFFAOYSA-NDMK84-2-A297.260004863
66
OSA_000751MurD39.8O=C(C1CCN(C)CC1)NC2=CC=CC(Br)=C2
N-(3-bromophenyl)-1-methylpiperidine-4-carboxamideZQBUUHOVMXBKOP-UHFFFAOYSA-NDMK83-1-A297.295968089
67
OSA_000752MurD78.9O=C(C1CCN(C)CC1)NC2=CC=C(Br)C=C2
N-(4-bromophenyl)-1-methylpiperidine-4-carboxamideMPGBNJKPYBAROJ-UHFFFAOYSA-NDMK82-1-A297.251103985
68
OSA_000753MurD41.8O=C(C1CCN(C)CC1)NC2=C(C3=CC=CC=C3)C=CC=C2
N-([1,1'-biphenyl]-2-yl)-1-methylpiperidine-4-carboxamideWSIROINKJIPLSC-UHFFFAOYSA-NDMK102-1-A294.499817647
69
OSA_000755MurD15.3O=C(C1CCN(C)CC1)NC2=CC=CC(C3=CC=CC=C3)=C2
N-([1,1'-biphenyl]-3-yl)-1-methylpiperidine-4-carboxamideDPBBCALZTLCOIT-UHFFFAOYSA-NDMK87-1-B294.4
70
OSA_000756MurD91.9O=C(C1CCN(C)CC1)NC2=CC(C3=CC=C(C=CC=C4)C4=C3)=CC=C2
1-methyl-N-(3-(naphthalen-2-yl)phenyl)piperidine-4-carboxamideRXYMXPPTPPPTLC-UHFFFAOYSA-NDMK95-1-A344.46
71
OSA_000757MurD35.7O=C(C1CCN(C)CC1)NC2=CC=C(C3=CC=CC=C3)C=C2
N-([1,1'-biphenyl]-4-yl)-1-methylpiperidine-4-carboxamideGMNHICLLRMPJFX-UHFFFAOYSA-NDMK96-1-A294.4
72
OSA_000758MurD6.53O=C(C1CCN(C)CC1)NC2=CC=C(C3=CC=C(C=CC=C4)C4=C3)C=C2
1-methyl-N-(4-(naphthalen-2-yl)phenyl)piperidine-4-carboxamideHEUZCVPUMTWLAE-UHFFFAOYSA-NDMK97-1-A344.46
73
OSA_000759MurD13.5 & MurE O=C(C1CCN(C)CC1)NC2=CC=C(C3=CC=NC=C3)C=C2
1-methyl-N-(4-(pyridin-4-yl)phenyl)piperidine-4-carboxamideFOYCAWNDFDSDPG-UHFFFAOYSA-NDMK109-1-B295.39
74
OSA_000760MurD106O=C(C1CCN(C)CC1)NC2=CC=C(C3=CC=CN=C3)C=C2
1-methyl-N-(4-(pyridin-3-yl)phenyl)piperidine-4-carboxamideVHOFAYQMUVOETF-UHFFFAOYSA-NDMK110-1-B295.39
75
OSA_000761MurD116O=C(C1CCN(C)CC1)NC2=CC(N3CCCCC3)=CC=C2
1-methyl-N-(3-(piperidin-1-yl)phenyl)piperidine-4-carboxamideOXEGRJXFVBEBTB-UHFFFAOYSA-NDMK89-2-B301.43
76
OSA_000762MurD62.7O=C(C1CCN(C)CC1)NC2=CC=C(N3CCOCC3)C=C2
1-methyl-N-(4-morpholinophenyl)piperidine-4-carboxamideGLGKAWALSIJYHG-UHFFFAOYSA-NDMK112-1-A303.41
77
OSA_000763MurD97.8O=C(C1CCN(C)CC1)NC2=CC=C(N3CCCCC3)C=C2
1-methyl-N-(4-(piperidin-1-yl)phenyl)piperidine-4-carboxamideYPWJBXOPAVZHPZ-UHFFFAOYSA-NDMK106-1-A301.43110693529
78
OSA_000764MurD99.6O=C(NC1=CC(NC2CCCCC2)=CC=C1)C3CCN(CC3)C
N-(3-(cyclohexylamino)phenyl)-1-methylpiperidine-4-carboxamideGWOGEIVUIJEMAY-UHFFFAOYSA-NDMK93-2-A315.46
79
OSA_000765MurD21.2O=C(C1CCN(C)CC1)NC2=CC=C(NC(C)C)C=C2
N-(4-(isopropylamino)phenyl)-1-methylpiperidine-4-carboxamideVZJYHKRIBTXZAO-UHFFFAOYSA-NDMK111-1-A275.4
80
OSA_000766MurD92.4O=C(C1CCN(C)CC1)NC2=CC=C(NC3CCCCC3)C=C2
N-(4-(cyclohexylamino)phenyl)-1-methylpiperidine-4-carboxamideRSFQSAYEJQVTHE-UHFFFAOYSA-NDMK105-1-A315.46
81
OSA_000767MurD51.3CC(C)C1N(C)CCC2=C1NC3=CC=CC=C32
1-Isopropyl-2-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indoleXIGXNSOZHWZZMB-UHFFFAOYSA-NFI112-2228.338
82
OSA_000768MurD197BrC1=CC(NC(C)=O)=CC=C1
N-(3-bromophenyl)acetamideXXHOHJTVFUJJMT-UHFFFAOYSA-NFI124-1214.062
83
OSA_000769MurD203O=S(C1=CC=C(NC(C)=O)C=C1)(N2CCN(C3=NC=CC=C3)CC2)=O
N-(4-((4-(pyridin-2-yl)piperazin-1-yl)sulfonyl)phenyl)acetamideBYKOGXKIENOVFN-UHFFFAOYSA-NFI130-1360.437
84
OSA_000770MurD47.8O=C(C(C)C)NC1=CC=CC(C2=CN=CC=C2)=C1
N-(3-(pyridin-3-yl)phenyl)isobutyramideKWNNCPXCTWFGPN-UHFFFAOYSA-NFI131-1240.305
85
OSA_000771MurD29.8O=C(C(C)C)NC1=CC=CC(C2=CN=CC=C2)=C1
1-Methyl-4-(4-(pyridin-3-yl)phenyl)piperazine​KWNNCPXCTWFGPN-UHFFFAOYSA-NFI132-1240.305
86
OSA_000772MurD37.7O=S(C1=CC=C(NC(C)=O)C=C1)(N2CCOCC2)=O
N-(4-(Morpholinosulfonyl)phenyl)acetamideWSVGZFWJCRPWAG-UHFFFAOYSA-NFI133-1284.335
87
OSA_000773MurD19.5O=S(C1=CC=C(NC(C)=O)C=C1)(NCC2=CC=C(OCO3)C3=C2)=O
N-(4-(N-(benzo[d][1,3]dioxol-5-ylmethyl)sulfamoyl)phenyl)acetamideQIEXJUZBFRBKML-UHFFFAOYSA-NFI134-1348.378
88
OSA_000774MurD35.7O=S(C1=CC=C(NC(C)=O)C=C1)(N2CCN(C)CC2)=O
N-(4-((4-methylpiperazin-1-yl)sulfonyl)phenyl)acetamideFIFVSQIZNIIPJZ-UHFFFAOYSA-NFI135-1297.378
89
OSA_000775MurD82.5O=S(C1=CC=C(NC(C)=O)C=C1)(NCCN2CCOCC2)=O
N-(4-(N-(2-morpholinoethyl)sulfamoyl)phenyl)acetamideACDMONYKERYXRY-UHFFFAOYSA-NFI136-1327.404
90
OSA_000776MurD22.2O=C(C(C)C)NC1=CC=CC(C2=CC=C(OC3=CC=CC=C3)C=C2)=C1
N-(4'-phenoxy-[1,1'-biphenyl]-3-yl)isobutyramideDNPIDTVUKHZLJL-UHFFFAOYSA-NFI137-1B331.414
91
OSA_000777MurD-214O=C(C(C)C)NC1=CC=CC(C2=CC=C(OC)C=C2)=C1
N-(4'-methoxy-[1,1'-biphenyl]-3-yl)isobutyramideBZSTUXKJLYWJSW-UHFFFAOYSA-NFI138-1269.343
92
OSA_000778MurD68.4O=S(C1=CC=C(NC(C)=O)C=C1)(N2CCC(O)CC2)=O
N-(4-((4-hydroxypiperidin-1-yl)sulfonyl)phenyl)acetamidePRLOWNAGHFFGCK-UHFFFAOYSA-NFI139-1298.362
93
OSA_000779MurD0COC(C=C1)=CC=C1C2=CC=C(N3CCN(C)CC3)C=C2
1-(4'-Methoxy-[1,1'-biphenyl]-4-yl)-4-methylpiperazineSHOSXLCUJJBWML-UHFFFAOYSA-NFI143-1B282.386
94
OSA_000780MurD-9.69CN(CC1)CCN1C2=CC=C(C3=CC=C(C=CC=C4)C4=C3)C=C2
1-Methyl-4-(4-(naphthalen-2-yl)phenyl)piperazineCVHJZYYHFDIULT-UHFFFAOYSA-NFI144-1D302.42
95
OSA_000781MurD-531O=S(C1=CC=C(NC(C)=O)C=C1)(N2CCN(C3=CC=C(OC)C=C3)CC2)=O
N-(4-((4-(4-Methoxyphenyl)piperazin-1-yl)sulfonyl)phenyl)acetamideRANNSMVPRJINCO-UHFFFAOYSA-NFI145-1389.475
96
OSA_000782MurD101O=S(C1=CC=C(NC(C)=O)C=C1)(N2CCN(CCN(C)C)CC2)=O
N-(4-((4-(2-(Dimethylamino)ethyl)piperazin-1-yl)sulfonyl)phenyl)acetamidePNNHPJSMKNRYIO-UHFFFAOYSA-NFI146-1354.473
97
OSA_000783MurD33.6O=C(C(C)C)NC1=CC=C(Br)C=C1
N-(4-bromophenyl)isobutyramideAVQYIQZFJLEKGK-UHFFFAOYSA-NFI148-1242.115
98
OSA_000784MurD0CN(CC1)CCN1C2=CC=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C=C2
1-Methyl-4-(4'-phenoxy-[1,1'-biphenyl]-4-yl)piperazineCAAVQSSQPMCJAJ-UHFFFAOYSA-NFI150-1B344.457
99
OSA_000785MurD149O=C(C(C)C)NC1=CC=CC(C2=CC=C(C=CC=C3)C3=C2)=C1
N-(3-(naphthalen-2-yl)phenyl)isobutyramide​NOXBYDYDGIBFQX-UHFFFAOYSA-NFI151-1289.377
100
OSA_000786MurD0.74O=C(C(C)C)NC1=CC=CC(C2=CSC3=C2C=CC=C3)=C1
N-(3-(benzo[b]thiophen-3-yl)phenyl)isobutyramideRQWZQOIAPNFGGO-UHFFFAOYSA-NFI152-1295.405
101
OSA_000787MurD-45.8O=C(C(C)C)NC1=CC=C(C2=CC=C(C=CC=C3)C3=C2)C=C1
N-(4-(naphthalen-2-yl)phenyl)isobutyramideUTCQQWMTVBBWSV-UHFFFAOYSA-NFI153-1289.377
102
OSA_000789MurD16.3 & MurEO=C(C(C)C)NC1=CC=C(C2=CN=CC=C2)C=C1
N-(4-(pyridin-3-yl)phenyl)isobutyramideLKTDNYDXCXAMKT-UHFFFAOYSA-NFI155-1240.305
103
OSA_000790MurD0CN(CC1)CCN1C2=CC=C(C3=CSC4=C3C=CC=C4)C=C2
1-(4-(Benzo[b]thiophen-3-yl)phenyl)-4-methylpiperazineBMJKSOJJPUHDMI-UHFFFAOYSA-NFI156-1B308.448
104
OSA_000791MurD-22.8O=C(C(C)C)NC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1
N-(4-(4-chlorophenoxy)phenyl)isobutyramideMJRRKYUCTQTSAN-UHFFFAOYSA-NFI157-1289.761
105
OSA_000792MurD931O=C(C(C)C)NC1=CC=C(C2=CC=C(OC)C=C2)C=C1
N-(4'-methoxy-[1,1'-biphenyl]-4-yl)isobutyramideGCEQZQIQTAMELE-UHFFFAOYSA-NFI158-1269.343
106
OSA_000793MurD255O=C(C(C)C)NC1=CC=C(C2=CC=C(OC3=CC=CC=C3)C=C2)C=C1
N-(4'-phenoxy-[1,1'-biphenyl]-4-yl)isobutyramideAXKLEVSJVNZWNQ-UHFFFAOYSA-NFI159-1331.414
107
OSA_000794MurD78.7O=C(C(C)C)NC1=CC=C(OC2=CC=C(Cl)C=C2)C(Cl)=C1
N-(3-chloro-4-(4-chlorophenoxy)phenyl)isobutyramideBYQIARDUTWTXAZ-UHFFFAOYSA-NFI160-1324.206
108
OSA_000795MurD60.4O=C(C(C)C)NC1=CC=C(CN2N=CN=C2)C=C1
N-(4-((1H-1,2,4-triazol-1-yl)methyl)phenyl)isobutyramideSVTQNBMLUNRJJH-UHFFFAOYSA-NFI161-1244.297
109
OSA_000796MurD11.5O=C(C(C)C)NC1=CC=C(C2=CC=C(OC)C(O)=C2)C=C1
N-(3'-Hydroxy-4'-methoxy-[1,1'-biphenyl]-4-yl)isobutyramideDKWPQKAHBKWPKB-UHFFFAOYSA-NFI162-1A285.342
110
OSA_000797MurD70.3CN(CC1)CCN1C2=CC=C(NC(C3=CC=CO3)=O)C=C2
N-(4-(4-methylpiperazin-1-yl)phenyl)furan-2-carboxamideZFNBQDCDCYWTTO-UHFFFAOYSA-NFI163-1285.346