ABCDEFGHIJKLMNOPQRSTUVWXYZ
1
IDMMV_NBQEDALogP
Canonical_Smiles
InChI
2
ES_WvH_MMV-2-15581
28.835048560.504932.789
OC(COc1cncc2nnc(c3ccc(nc3)C(F)(F)F)n12)c4ccc(cc4)C#N
InChI=1S/C20H13F3N6O2/c21-20(22,23)16-6-5-14(8-26-16)19-28-27-17-9-25-10-18(29(17)19)31-11-15(30)13-3-1-12(7-24)2-4-13/h1-6,8-10,15,30H,11H2
3
ES_WvH_MMV-2-15646
26.90422230.504932.789
OC(COc1cncc2nnc(c3ccc(nc3)C(F)(F)F)n12)c4cccc(c4)C#N
InChI=1S/C20H13F3N6O2/c21-20(22,23)16-5-4-14(8-26-16)19-28-27-17-9-25-10-18(29(17)19)31-11-15(30)13-3-1-2-12(6-13)7-24/h1-6,8-10,15,30H,11H2
4
ES_WvH_MMV-2-5513
25.508598110.505233.464
COC(COc1cncc2nnc(c3ccc(cc3)C#N)n12)c4ccc(C)cc4
InChI=1S/C22H19N5O2/c1-15-3-7-17(8-4-15)19(28-2)14-29-21-13-24-12-20-25-26-22(27(20)21)18-9-5-16(11-23)6-10-18/h3-10,12-13,19H,14H2,1-2H3
5
ES_WvH_MMV-2-5515
25.327567750.50353.183
COC(COc1cncc2nnc(c3ccc(cc3)C#N)n12)c4cccc(F)c4
InChI=1S/C21H16FN5O2/c1-28-18(16-3-2-4-17(22)9-16)13-29-20-12-24-11-19-25-26-21(27(19)20)15-7-5-14(10-23)6-8-15/h2-9,11-12,18H,13H2,1H3
6
ES_WvH_MMV-2-5509
24.890065270.505233.464
COC(COc1cncc2nnc(c3ccc(cc3)C#N)n12)c4cccc(C)c4
InChI=1S/C22H19N5O2/c1-15-4-3-5-18(10-15)19(28-2)14-29-21-13-24-12-20-25-26-22(27(20)21)17-8-6-16(11-23)7-9-17/h3-10,12-13,19H,14H2,1-2H3
7
ES_WvH_MMV-2-6107
24.49985110.513293.288
CC(O)C(COc1cncc2nnc(c3ccc(cc3)C#N)n12)c4ccc(F)c(F)c4
InChI=1S/C22H17F2N5O2/c1-13(30)17(16-6-7-18(23)19(24)8-16)12-31-21-11-26-10-20-27-28-22(29(20)21)15-4-2-14(9-25)3-5-15/h2-8,10-11,13,17,30H,12H2,1H3
8
ES_WvH_MMV-2-18842
24.498197590.509352.786
CNc1cccc(c1)C(COc2cncc3nnc(c4ccc(cc4)C#N)n23)OC
InChI=1S/C22H20N6O2/c1-24-18-5-3-4-17(10-18)19(29-2)14-30-21-13-25-12-20-26-27-22(28(20)21)16-8-6-15(11-23)7-9-16/h3-10,12-13,19,24H,14H2,1-2H3
9
ES_WvH_MMV-2-18484
24.423927890.509352.786
CNc1ccc(cc1)C(COc2cncc3nnc(c4ccc(cc4)C#N)n23)OC
InChI=1S/C22H20N6O2/c1-24-18-9-7-16(8-10-18)19(29-2)14-30-21-13-25-12-20-26-27-22(28(20)21)17-5-3-15(11-23)4-6-17/h3-10,12-13,19,24H,14H2,1-2H3
10
ES_WvH_MMV-2-6121
24.204196930.514522.999
CC(N)C(COc1cncc2nnc(c3ccc(cc3)C#N)n12)c4ccc(F)c(F)c4
InChI=1S/C22H18F2N6O/c1-13(26)17(16-6-7-18(23)19(24)8-16)12-31-21-11-27-10-20-28-29-22(30(20)21)15-4-2-14(9-25)3-5-15/h2-8,10-11,13,17H,12,26H2,1H3
11
ES_WvH_MMV-2-5947
23.983741740.503053.318
CNc1ccc(cc1)c2nnc3cncc(OC[C@H](OC)c4ccc(F)c(F)c4)n23
InChI=1S/C21H19F2N5O2/c1-24-15-6-3-13(4-7-15)21-27-26-19-10-25-11-20(28(19)21)30-12-18(29-2)14-5-8-16(22)17(23)9-14/h3-11,18,24H,12H2,1-2H3/t18-/m0/s1
12
ES_WvH_MMV-2-16244
13.831392180.66432.992
OC(COc1cncc2nnc(c3ccc(nc3)C(F)(F)F)n12)CC4CCC4
InChI=1S/C18H18F3N5O2/c19-18(20,21)14-5-4-12(7-23-14)17-25-24-15-8-22-9-16(26(15)17)28-10-13(27)6-11-2-1-3-11/h4-5,7-9,11,13,27H,1-3,6,10H2
13
ES_WvH_MMV-2-16783
14.082280950.65233.767
CC1CCCC(C1)C(O)COc2cncc3nnc(c4ccc(nc4)C(F)(F)F)n23
InChI=1S/C20H22F3N5O2/c1-12-3-2-4-13(7-12)15(29)11-30-18-10-24-9-17-26-27-19(28(17)18)14-5-6-16(25-8-14)20(21,22)23/h5-6,8-10,12-13,15,29H,2-4,7,11H2,1H3
14
ES_WvH_MMV-2-16836
14.288936920.621033.649
CC1(C)C2CCC(C(O)COc3cncc4nnc(c5ccc(nc5)C(F)(F)F)n34)C1C2
InChI=1S/C22H24F3N5O2/c1-21(2)13-4-5-14(15(21)7-13)16(31)11-32-19-10-26-9-18-28-29-20(30(18)19)12-3-6-17(27-8-12)22(23,24)25/h3,6,8-10,13-16,31H,4-5,7,11H2,1-2H3
15
ES_WvH_MMV-2-17613
12.570008610.627773.578
O[C@@H](CCOc1cncc2nnc(c3ccc(nc3)C(F)(F)F)n12)C4CCCCC4
InChI=1S/C20H22F3N5O2/c21-20(22,23)16-7-6-14(10-25-16)19-27-26-17-11-24-12-18(28(17)19)30-9-8-15(29)13-4-2-1-3-5-13/h6-7,10-13,15,29H,1-5,8-9H2/t15-/m0/s1
16
ES_WvH_MMV-2-18620
10.641614570.627572.767
COC(COc1cncc2nnc(c3ccc(cc3)C#N)n12)C4CCNC(C4)C(C)C
InChI=1S/C23H28N6O2/c1-15(2)19-10-18(8-9-26-19)20(30-3)14-31-22-13-25-12-21-27-28-23(29(21)22)17-6-4-16(11-24)5-7-17/h4-7,12-13,15,18-20,26H,8-10,14H2,1-3H3
17
ES_WvH_MMV-2-16981
12.133963350.580761.908
C[C@@H]1CN(CC(O)COc2cncc3nnc(c4ccc(nc4)C(F)(F)F)n23)C[C@H](C)O1
InChI=1S/C20H23F3N6O3/c1-12-8-28(9-13(2)32-12)10-15(30)11-31-18-7-24-6-17-26-27-19(29(17)18)14-3-4-16(25-5-14)20(21,22)23/h3-7,12-13,15,30H,8-11H2,1-2H3/t12-,13+,15?
18
ES_WvH_MMV-2-18911
10.938704830.595513.134
COC(COc1cncc2nnc(c3ccc(cc3)C#N)n12)CC(O)C4CCCCC4
InChI=1S/C23H27N5O3/c1-30-19(11-20(29)17-5-3-2-4-6-17)15-31-22-14-25-13-21-26-27-23(28(21)22)18-9-7-16(12-24)8-10-18/h7-10,13-14,17,19-20,29H,2-6,11,15H2,1H3
19
ES_WvH_MMV-2-16169
10.368927160.608332.364
CCN1CCC(CC1)C(O)COc2cncc3nnc(c4ccc(nc4)C(F)(F)F)n23
InChI=1S/C20H23F3N6O2/c1-2-28-7-5-13(6-8-28)15(30)12-31-18-11-24-10-17-26-27-19(29(17)18)14-3-4-16(25-9-14)20(21,22)23/h3-4,9-11,13,15,30H,2,5-8,12H2,1H3
20
ES_WvH_MMV-2-16580
11.550782550.516633.532
COC1CCC(CCC(O)COc2cncc3nnc(c4ccc(nc4)C(F)(F)F)n23)CC1
InChI=1S/C22H26F3N5O3/c1-32-17-7-3-14(4-8-17)2-6-16(31)13-33-20-12-26-11-19-28-29-21(30(19)20)15-5-9-18(27-10-15)22(23,24)25/h5,9-12,14,16-17,31H,2-4,6-8,13H2,1H3
21
ES_WvH_MMV-2-16724
9.6282050850.534130.898
OC(CCN1CC[C@H](O)C1)COc2cncc3nnc(c4ccc(nc4)C(F)(F)F)n23
InChI=1S/C19H21F3N6O3/c20-19(21,22)15-2-1-12(7-24-15)18-26-25-16-8-23-9-17(28(16)18)31-11-14(30)4-6-27-5-3-13(29)10-27/h1-2,7-9,13-14,29-30H,3-6,10-11H2/t13-,14?/m0/s1
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