Search Ligand
Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 35001 |  NQG ZINC000016052252 |
1 | C28 H39 N9 O7 | InChI=1S/C28H39N9O7/c1-2- 44-23(39)14-22(38)27(43)3 6-19(9-5-11-29)25(41)35-2 0(10-6-12-33-28(31)32)26( 42)37-21(24(30)40)13-16-1 5-34-18-8-4-3-7-17(16)18/ h3-4,7-8,15,19-22,34,38H, 2,5-6,9-10,12-14H2,1H3,(H 2,30,40)(H,35,41)(H,36,43 )(H,37,42)(H4,31,32,33)/t 19-,20-,21-,22-/m0/s1; QRCIRXHNWBRPBN-CMOCDZPBSA-N |
O=C(OCC)CC(O)C(=O)NC(C(=O)NC(C(=O)NC(C(= O)N)Cc2c1ccccc1nc2)CCCNC(=[N@H])N)CCC#N; [H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](Cc1 c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CCC#N) NC(=O)[C@H](CC(=O)OCC)O; CCOC(=O)C[CH](O )C(=O)N[CH](CCC#N)C(=O)N[CH](CCCNC(N)=N) C(=O)N[CH](Cc1c[nH]c2ccccc12)C(N)=O; CCO C(=O)C[C@H](O)C(=O)N[C@@H](CCC#N)C(=O)N[ C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2 ccccc12)C(N)=O; [H]N=C(N)NCCCC(C(=O)NC(C c1c[nH]c2c1cccc2)C(=O)N)NC(=O)C(CCC#N)NC (=O)C(CC(=O)OCC)O |
5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE |
| 35002 |  NQH CHEMBL4464160 |
1 | C10 H10 Cl N3 | InChI=1S/C10H10ClN3/c11-1 0-8(5-12)9(3-4-13-10)14-6 -7-1-2-7/h3-4,7H,1-2,6H2, (H,13,14); NLBNRXHKCJFZBY-UHFFFAOYSA-N |
c1cnc(c(c1NCC2CC2)C#N)Cl; Clc1nccc(NCC2C C2)c1C#N |
2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile |
| 35003 |  NQI ZINC000016052253 |
1 | C28 H40 N8 O7 | InChI=1S/C28H40N8O7/c1-3- 8-19(35-27(42)22(37)14-23 (38)43-4-2)25(40)34-20(11 -7-12-32-28(30)31)26(41)3 6-21(24(29)39)13-16-15-33 -18-10-6-5-9-17(16)18/h3, 5-6,9-10,15,19-22,33,37H, 1,4,7-8,11-14H2,2H3,(H2,2 9,39)(H,34,40)(H,35,42)(H ,36,41)(H4,30,31,32)/t19- ,20-,21-,22+/m0/s1; ZPQHLTRUUXVSLS-MYGLTJDJSA-N |
CCOC(=O)C[CH](O)C(=O)N[CH](CC=C)C(=O)N[C H](CCCNC(N)=N)C(=O)N[CH](Cc1c[nH]c2ccccc 12)C(N)=O; [H]N=C(N)NCCCC(C(=O)NC(Cc1c[n H]c2c1cccc2)C(=O)N)NC(=O)C(CC=C)NC(=O)C( CC(=O)OCC)O; [H]/N=C(\N)/NCCC[C@@H](C(=O )N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O) [C@H](CC=C)NC(=O)[C@@H](CC(=O)OCC)O; CCO C(=O)C[C@@H](O)C(=O)N[C@@H](CC=C)C(=O)N[ C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2 ccccc12)C(N)=O; O=C(OCC)CC(O)C(=O)NC(C(= O)NC(C(=O)NC(C(=O)N)Cc2c1ccccc1nc2)CCCNC (=[N@H])N)C\C=C |
N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE |
| 35004 |  NQJ CHEMBL4560286 |
1 | C23 H20 Cl F3 N2 O5 S2 | InChI=1S/C23H20ClF3N2O5S2 /c1-13-10-19(20(30)28-18( 21(31)34-2)11-14-6-4-3-5- 7-14)35-22(13)36(32,33)29 -17-12-15(23(25,26)27)8-9 -16(17)24/h3-10,12,18,29H ,11H2,1-2H3,(H,28,30)/t18 -/m1/s1; YYXGZAWTALWJLJ-GOSISDBHSA-N |
Cc1cc(sc1S(=O)(=O)Nc2cc(ccc2Cl)C(F)(F)F) C(=O)N[C@H](Cc3ccccc3)C(=O)OC; COC(=O)[C H](Cc1ccccc1)NC(=O)c2sc(c(C)c2)[S](=O)(= O)Nc3cc(ccc3Cl)C(F)(F)F; COC(C(Cc1ccccc1 )NC(c3cc(C)c(S(Nc2c(ccc(c2)C(F)(F)F)Cl)( =O)=O)s3)=O)=O; Cc1cc(sc1S(=O)(=O)Nc2cc( ccc2Cl)C(F)(F)F)C(=O)NC(Cc3ccccc3)C(=O)O C; COC(=O)[C@@H](Cc1ccccc1)NC(=O)c2sc(c( C)c2)[S](=O)(=O)Nc3cc(ccc3Cl)C(F)(F)F |
methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate |
| 35005 |  NQK CHEMBL4542555 |
1 | C15 H12 Cl N5 O | InChI=1S/C15H12ClN5O/c1-2 0-12-4-3-9(7-13(12)21(2)1 5(20)22)19-11-5-6-18-14(1 6)10(11)8-17/h3-7H,1-2H3, (H,18,19); OTSZAULBNXSOMT-UHFFFAOYSA-N |
CN1C(=O)N(C)c2cc(Nc3ccnc(Cl)c3C#N)ccc12; CN1c2ccc(cc2N(C1=O)C)Nc3ccnc(c3C#N)Cl |
2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile |
| 35006 |  NQL |
1 | C20 H29 Cl N4 O2 | InChI=1S/C20H29ClN4O2/c21 -14-18(26)23-15-16-6-12-2 5(13-7-16)19(27)20(8-10-2 2-11-9-20)24-17-4-2-1-3-5 -17/h1-5,16,22,24H,6-15H2 ,(H,23,26); XANXFUXIXRLBSI-UHFFFAOYSA-N |
c1ccc(cc1)NC2(CCNCC2)C(=O)N3CCC(CC3)CNC( =O)CCl; ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNC C2)Nc3ccccc3 |
2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide |
| 35007 |  NQM |
4 | C7 H6 O7 | InChI=1S/C7H6O7/c8-4(7(13 )14)1-3(6(11)12)2-5(9)10/ h2H,1H2,(H,9,10)(H,11,12) (H,13,14)/b3-2+; ODTDYYZJDQGKQT-NSCUHMNNSA-N |
OC(=O)C=C(CC(=O)C(O)=O)C(O)=O; O=C(C(CC( =C/C(O)=O)\C(O)=O)=O)O; C(/C(=C\C(=O)O)/ C(=O)O)C(=O)C(=O)O; C(C(=CC(=O)O)C(=O)O) C(=O)C(=O)O; OC(=O)\C=C(CC(=O)C(O)=O)\C( O)=O |
(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid |
| 35008 |  NQN CHEMBL4550751 |
1 | C18 H18 Cl N5 O2 | InChI=1S/C18H18ClN5O2/c1- 11(25)6-8-24-16-9-12(3-4- 15(16)23(2)18(24)26)22-14 -5-7-21-17(19)13(14)10-20 /h3-5,7,9,11,25H,6,8H2,1- 2H3,(H,21,22)/t11-/m1/s1; YEBUIPXITBJLFQ-LLVKDONJSA-N |
CC(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)C l)O; C[CH](O)CCN1C(=O)N(C)c2ccc(Nc3ccnc( Cl)c3C#N)cc12; C[C@H](CCN1c2cc(ccc2N(C1= O)C)Nc3ccnc(c3C#N)Cl)O; C[C@@H](O)CCN1C( =O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12 |
2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile |
| 35009 |  NQO |
1 | C13 H12 Cl N3 O | InChI=1S/C13H12ClN3O/c1-9 -5-6-15-17-13(9)16-12(18) 8-10-3-2-4-11(14)7-10/h2- 7H,8H2,1H3,(H,16,17,18); ZNGNXXLXHHJCCJ-UHFFFAOYSA-N |
Cc1ccnnc1NC(=O)Cc2cccc(Cl)c2; Cc1ccnnc1N C(=O)Cc2cccc(c2)Cl; Cc1ccnnc1NC(=O)Cc1cc cc(Cl)c1 |
2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide |
| 35010 |  NQP CHEMBL4474288 |
2 | C31 H42 N6 O4 | InChI=1S/C31H42N6O4/c1-5- 6-15-36-26-9-10-28(34-29( 26)37(21(2)31(36)39)24-13 -18-41-19-14-24)33-25-8-7 -22(20-27(25)40-4)30(38)3 2-23-11-16-35(3)17-12-23/ h5,7-10,20-21,23-24H,1,6, 11-19H2,2-4H3,(H,32,38)(H ,33,34)/t21-/m1/s1; YEZKKIMJJAQTOO-OAQYLSRUSA-N |
CC1C(=O)N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4 OC)C(=O)NC5CCN(CC5)C)CCC=C; C[C@@H]1C(=O )N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4OC)C(=O )NC5CCN(CC5)C)CCC=C; [C@H](=C)CCN5c3ccc( Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC)nc3N(C4CC OCC4)C(C5=O)C; COc1cc(ccc1Nc2ccc3N(CCC=C )C(=O)[CH](C)N(C4CCOCC4)c3n2)C(=O)NC5CCN (C)CC5; COc1cc(ccc1Nc2ccc3N(CCC=C)C(=O)[ C@@H](C)N(C4CCOCC4)c3n2)C(=O)NC5CCN(C)CC 5 |
4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide |
| 35011 |  NQQ CHEMBL4572689 |
1 | C19 H20 Cl N5 O2 | InChI=1S/C19H20ClN5O2/c1- 19(2,27)7-9-25-16-10-12(4 -5-15(16)24(3)18(25)26)23 -14-6-8-22-17(20)13(14)11 -21/h4-6,8,10,27H,7,9H2,1 -3H3,(H,22,23); MSNMXJGUICGVME-UHFFFAOYSA-N |
CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C# N)Cl)O; CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3ccn c(Cl)c3C#N)ccc12 |
2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile |
| 35012 |  NQR ZINC000004902118 |
1 | C18 H18 N2 O2 | InChI=1S/C18H18N2O2/c1-12 -14-11-16(18(21)20-9-5-2- 6-10-20)22-17(14)13-7-3-4 -8-15(13)19-12/h3-4,7-8,1 1H,2,5-6,9-10H2,1H3; CKBASHMUSIQRHS-UHFFFAOYSA-N |
Cc1nc2ccccc2c2oc(cc12)C(=O)N1CCCCC1; Cc1 c2cc(oc2c3ccccc3n1)C(=O)N4CCCCC4; Cc1nc2 ccccc2c3oc(cc13)C(=O)N4CCCCC4 |
(4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone |
| 35013 |  NQS CHEMBL4475735 ZINC000001729754 |
2 | C12 H10 O3 S | InChI=1S/C12H10O3S/c13-5- 6-16-11-7-10(14)8-3-1-2-4 -9(8)12(11)15/h1-4,7,13H, 5-6H2; IBLOZMPODBITIK-UHFFFAOYSA-N |
O=C2c1c(cccc1)C(=O)C(SCCO)=C2; c1ccc2c(c 1)C(=O)C=C(C2=O)SCCO; OCCSC1=CC(=O)c2ccc cc2C1=O |
2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione |
| 35014 |  NQT CHEMBL4451702 |
1 | C22 H26 Cl N7 O2 | InChI=1S/C22H26ClN7O2/c1- 13-10-14(2)30(27-13)20-24 -12-16(23)19(26-20)25-15- 6-7-17-18(11-15)29(21(31) 28(17)5)9-8-22(3,4)32/h6- 7,10-12,32H,8-9H2,1-5H3,( H,24,25,26); UQSUWLFWPLYJIQ-UHFFFAOYSA-N |
CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3nc(ncc3Cl)n 4nc(C)cc4C)ccc12; Cc1cc(n(n1)c2ncc(c(n2) Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C |
5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one |
| 35015 |  NQU |
1 | C21 H28 Cl2 N2 O3 | InChI=1S/C21H28Cl2N2O3/c2 2-14-19(26)24-15-16-8-12- 25(13-9-16)20(27)21(10-2- 1-3-11-21)28-18-6-4-17(23 )5-7-18/h4-7,16H,1-3,8-15 H2,(H,24,26); DPPVFRFCFQIPRQ-UHFFFAOYSA-N |
c1cc(ccc1OC2(CCCCC2)C(=O)N3CCC(CC3)CNC(= O)CCl)Cl; ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC CCC2)Oc3ccc(Cl)cc3 |
2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide |
| 35016 |  NQV CHEMBL4539891 |
1 | C30 H42 N6 O3 | InChI=1S/C30H42N6O3/c1-19 (2)39-26-18-21(29(37)31-2 2-14-16-34(4)17-15-22)10- 11-24(26)32-27-13-12-25-2 8(33-27)36(23-8-6-7-9-23) 20(3)30(38)35(25)5/h10-13 ,18-20,22-23H,6-9,14-17H2 ,1-5H3,(H,31,37)(H,32,33) /t20-/m1/s1; AGCMTUNUCHFYSQ-HXUWFJFHSA-N |
CC(C)Oc1cc(ccc1Nc2ccc3N(C)C(=O)[C@@H](C) N(C4CCCC4)c3n2)C(=O)NC5CCN(C)CC5; C[C@@H ]1C(=O)N(c2ccc(nc2N1C3CCCC3)Nc4ccc(cc4OC (C)C)C(=O)NC5CCN(CC5)C)C; CC1C(=O)N(c2cc c(nc2N1C3CCCC3)Nc4ccc(cc4OC(C)C)C(=O)NC5 CCN(CC5)C)C; CC(C)Oc1cc(ccc1Nc2ccc3N(C)C (=O)[CH](C)N(C4CCCC4)c3n2)C(=O)NC5CCN(C) CC5; c3cc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC (C)C)nc4c3N(C)C(C(N4C5CCCC5)C)=O |
4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide |
| 35017 |  NQW CHEMBL4476234 |
1 | C23 H31 Cl N6 O3 | InChI=1S/C23H31ClN6O3/c1- 14-12-29(13-15(2)33-14)21 -25-11-17(24)20(27-21)26- 16-6-7-18-19(10-16)30(22( 31)28(18)5)9-8-23(3,4)32/ h6-7,10-11,14-15,32H,8-9, 12-13H2,1-5H3,(H,25,26,27 )/t14-,15+; JPAZTMKUVSFPAZ-GASCZTMLSA-N |
C[C@@H]1CN(C[C@@H](O1)C)c2ncc(c(n2)Nc3cc c4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl; CC1CN(C C(O1)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C )CCC(C)(C)O)Cl; C[CH]1CN(C[CH](C)O1)c2nc c(Cl)c(Nc3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3 )n2; C[C@@H]1CN(C[C@H](C)O1)c2ncc(Cl)c(N c3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2 |
5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one |
| 35018 |  NQX |
1 | C23 H28 N4 O5 | InChI=1S/C23H28N4O5/c1-11 -10-12(2)25-22(24-11)27-2 1(31)18-13(3)14(8-9-15(18 )26(4)23(27)32)20(30)19-1 6(28)6-5-7-17(19)29/h8-10 ,16-17,19-20,28-30H,5-7H2 ,1-4H3/t16-,17-,20+/m1/s1; MLZUNIVRBBBYRG-HLIPFELVSA-N |
CN1C(=O)N(C(=O)c2c(C)c(ccc12)[C@H](O)C3[ C@H](O)CCC[C@H]3O)c4nc(C)cc(C)n4; Cc1cc( nc(n1)N2C(=O)c3c(c(ccc3N(C2=O)C)C(C4C(CC CC4O)O)O)C)C; Cc1cc(nc(n1)N2C(=O)c3c(c(c cc3N(C2=O)C)[C@@H](C4[C@@H](CCC[C@H]4O)O )O)C)C; CN1C(=O)N(C(=O)c2c(C)c(ccc12)[CH ](O)C3[CH](O)CCC[CH]3O)c4nc(C)cc(C)n4 |
6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(4,6-dimethylpyrimidin-2-yl)-1,5-dimethyl-quinazoline-2,4-dione |
| 35019 |  NQY CHEMBL4573352 |
1 | C26 H34 N6 O3 | InChI=1S/C26H34N6O3/c1-30 -14-11-18(12-15-30)27-25( 33)17-7-8-19(22(16-17)35- 3)28-23-10-9-20-24(29-23) 32-13-5-4-6-21(32)26(34)3 1(20)2/h7-10,16,18,21H,4- 6,11-15H2,1-3H3,(H,27,33) (H,28,29)/t21-/m1/s1; AVGGLPRMVXANOV-OAQYLSRUSA-N |
CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ccc4c( n3)N5CCCCC5C(=O)N4C; CN1CCC(CC1)NC(=O)c2 ccc(c(c2)OC)Nc3ccc4c(n3)N5CCCC[C@@H]5C(= O)N4C; COc1cc(ccc1Nc2ccc3N(C)C(=O)[C@H]4 CCCCN4c3n2)C(=O)NC5CCN(C)CC5; COc1cc(ccc 1Nc2ccc3N(C)C(=O)[CH]4CCCCN4c3n2)C(=O)NC 5CCN(C)CC5; c2c1N(C(=O)C5CCCCN5c1nc(c2)N c4c(cc(C(NC3CCN(CC3)C)=O)cc4)OC)C |
3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide |
| 35020 |  NQZ CHEMBL4445645 |
1 | C24 H31 Cl F2 N6 O2 | InChI=1S/C24H31ClF2N6O2/c 1-14-12-32(13-15(2)24(14, 26)27)21-28-11-17(25)20(3 0-21)29-16-6-7-18-19(10-1 6)33(22(34)31(18)5)9-8-23 (3,4)35/h6-7,10-11,14-15, 35H,8-9,12-13H2,1-5H3,(H, 28,29,30)/t14-,15+; VFNPUAOAEFMXQI-GASCZTMLSA-N |
C[CH]1CN(C[CH](C)C1(F)F)c2ncc(Cl)c(Nc3cc c4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2; CC1CN(C C(C1(F)F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O )N4C)CCC(C)(C)O)Cl; C[C@@H]1CN(C[C@H](C) C1(F)F)c2ncc(Cl)c(Nc3ccc4N(C)C(=O)N(CCC( C)(C)O)c4c3)n2; C[C@@H]1CN(C[C@@H](C1(F) F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CC C(C)(C)O)Cl |
5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one |
| 35021 |  NR0 |
0 | C13 H17 N7 O4 | InChI=1S/C13H17N7O4/c14-7 -3-24-4-8(7)20(2-10(22)23 )9(21)1-19-6-18-11-12(15) 16-5-17-13(11)19/h5-8H,1- 4,14H2,(H,22,23)(H2,15,16 ,17)/t7-,8-/m0/s1; NDSRPVXXSCHUPN-YUMQZZPRSA-N |
c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)C3COCC 3N)N; c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O) [C@H]3COC[C@@H]3N)N; N[CH]1COC[CH]1N(CC( O)=O)C(=O)Cn2cnc3c(N)ncnc23; N[C@H]1COC[ C@@H]1N(CC(O)=O)C(=O)Cn2cnc3c(N)ncnc23; OC(=O)CN(C1COCC1N)C(=O)Cn1cnc2c(N)ncnc21 |
N-[(3R,4R)-4-aminooxolan-3-yl]-2-(6-amino-9H-purin-9-yl)-N-(2-oxoethyl)acetamide |
| 35022 |  NR1 |
4 | C5 H13 N O5 P | InChI=1S/C5H12NO5P/c7-5-2 -6-1-4(5)3-11-12(8,9)10/h 4-7H,1-3H2,(H2,8,9,10)/p+ 1/t4-,5+/m1/s1; DZBMWXHITVAZTC-UHNVWZDZSA-O |
P(O)(O)(=O)OCC1C(C[NH2+]C1)O; O[CH]1C[NH 2+]C[CH]1CO[P](O)(O)=O; C1C(C(C[NH2+]1)O )COP(=O)(O)O; C1[C@@H]([C@H](C[NH2+]1)O) COP(=O)(O)O; O[C@H]1C[NH2+]C[C@@H]1CO[P] (O)(O)=O |
(3R,4R)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium |
| 35023 |  NR2 CHEMBL78755 DB08301 ZINC000026474822 |
2 | C14 H15 N3 O5 S2 | InChI=1S/C14H15N3O5S2/c1- 10-2-6-13(7-3-10)24(21,22 )17-14(18)16-11-4-8-12(9- 5-11)23(15,19)20/h2-9H,1H 3,(H2,15,19,20)(H2,16,17, 18); HDCXQTPVTAIPNZ-UHFFFAOYSA-N |
O=S(=O)(c1ccc(cc1)C)NC(=O)Nc2ccc(cc2)S(= O)(=O)N; Cc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2 ccc(cc2)[S](N)(=O)=O; Cc1ccc(cc1)S(=O)(= O)NC(=O)Nc2ccc(cc2)S(=O)(=O)N |
N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE |
| 35024 |  NR3 |
1 | C12 H24 O12 S2 | InChI=1S/C12H24O12S2/c13- 1-5(15)10(19)11(20)12(24- 26(21,22)23)7(17)4-25-3-6 (16)9(18)8(25)2-14/h5-20H ,1-4H2/t5-,6+,7+,8+,9-,10 -,11+,12+,25-/m0/s1; OMKXVFDVAGCPBS-HTOPOKEGSA-N |
C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H] ([C@@H]([C@H]([C@H](CO)O)O)O)OS(=O)(=O)[ O-])O)CO)O)O; C1C(C(C([S+]1CC(C(C(C(C(CO )O)O)O)OS(=O)(=O)[O-])O)CO)O)O; OC[CH](O )[CH](O)[CH](O)[CH](O[S]([O-])(=O)=O)[CH ](O)C[S+]1C[CH](O)[CH](O)[CH]1CO; OC[C@H ](O)[C@H](O)[C@@H](O)[C@H](O[S]([O-])(=O )=O)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@ H]1CO |
(1S,2R,3S,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate |
| 35025 |  NR4 |
1 | C12 H24 O12 S2 | InChI=1S/C12H24O12S2/c13- 1-5(15)10(19)11(20)12(24- 26(21,22)23)7(17)4-25-3-6 (16)9(18)8(25)2-14/h5-20H ,1-4H2/t5-,6-,7-,8-,9+,10 +,11-,12-,25+/m1/s1; OMKXVFDVAGCPBS-WJKNVNJGSA-N |
C1C(C(C([S+]1CC(C(C(C(C(CO)O)O)O)OS(=O)( =O)[O-])O)CO)O)O; OC[CH](O)[CH](O)[CH](O )[CH](O[S]([O-])(=O)=O)[CH](O)C[S+]1C[CH ](O)[CH](O)[CH]1CO; OC[C@@H](O)[C@H](O)[ C@@H](O)[C@H](O[S]([O-])(=O)=O)[C@H](O)C [S@+]1C[C@@H](O)[C@H](O)[C@H]1CO; C1[C@H ]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H ]([C@H]([C@@H](CO)O)O)O)OS(=O)(=O)[O-])O )CO)O)O |
(1S,2R,3S,4R)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate |
| 35026 |  NR5 CHEMBL4574515 |
1 | C25 H35 Cl N6 O3 | InChI=1S/C25H35ClN6O3/c1- 23(2,34)10-11-32-19-12-16 (8-9-18(19)30(7)22(32)33) 28-20-17(26)13-27-21(29-2 0)31-14-24(3,4)35-25(5,6) 15-31/h8-9,12-13,34H,10-1 1,14-15H2,1-7H3,(H,27,28, 29); BGCPLWWYPZAURQ-UHFFFAOYSA-N |
CC1(CN(CC(O1)(C)C)c2ncc(c(n2)Nc3ccc4c(c3 )N(C(=O)N4C)CCC(C)(C)O)Cl)C; CN1C(=O)N(C CC(C)(C)O)c2cc(Nc3nc(ncc3Cl)N4CC(C)(C)OC (C)(C)C4)ccc12 |
5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one |
| 35027 |  NR6 |
1 | C18 H22 Cl2 N2 O3 | InChI=1S/C18H22Cl2N2O3/c1 9-11-16(23)21-12-13-5-9-2 2(10-6-13)17(24)18(7-8-18 )25-15-3-1-14(20)2-4-15/h 1-4,13H,5-12H2,(H,21,23); QXDWNDTZFISQJX-UHFFFAOYSA-N |
ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Oc3ccc(C l)cc3; c1cc(ccc1OC2(CC2)C(=O)N3CCC(CC3)C NC(=O)CCl)Cl |
2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide |
| 35028 |  NR7 CHEMBL4438562 ZINC000205444408 |
1 | C29 H30 Cl N5 O4 | InChI=1S/C29H30ClN5O4/c1- 39-29(38)32-21-10-11-22-2 3(16-21)33-26(36)9-4-2-3- 8-25(28-31-17-24(22)34-28 )35-13-12-19(15-27(35)37) 18-6-5-7-20(30)14-18/h2-3 ,5-7,10-11,14,16-17,19,25 H,4,8-9,12-13,15H2,1H3,(H ,31,34)(H,32,38)(H,33,36) /b3-2+/t19-,25-/m0/s1; YMEHWISYYMKMFO-WOMRJYOTSA-N |
COC(=O)Nc1ccc-2c(c1)NC(=O)CCC=CCC(c3[nH] cc2n3)N4CCC(CC4=O)c5cccc(c5)Cl; COC(=O)N c1ccc2c(NC(=O)CCC=CC[CH](N3CC[CH](CC3=O) c4cccc(Cl)c4)c5[nH]cc2n5)c1; COC(=O)Nc1c cc-2c(c1)NC(=O)CC/C=C/C[C@@H](c3[nH]cc2n 3)N4CC[C@@H](CC4=O)c5cccc(c5)Cl; COC(=O) Nc1ccc2c(NC(=O)CC/C=C/C[C@H](N3CC[C@@H]( CC3=O)c4cccc(Cl)c4)c5[nH]cc2n5)c1; c1c(c c2c(c1)c5cnc(C(CC=CCCC(N2)=O)N4C(CC(c3cc cc(Cl)c3)CC4)=O)n5)NC(OC)=O |
methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate |
| 35029 |  NR8 CHEMBL4550911 |
1 | C18 H18 Cl N5 O2 | InChI=1S/C18H18ClN5O2/c1- 3-12(25)10-24-16-8-11(4-5 -15(16)23(2)18(24)26)22-1 4-6-7-21-17(19)13(14)9-20 /h4-8,12,25H,3,10H2,1-2H3 ,(H,21,22)/t12-/m0/s1; YYQGUWHFXVXQOO-LBPRGKRZSA-N |
CC[C@H](O)CN1C(=O)N(C)c2ccc(Nc3ccnc(Cl)c 3C#N)cc12; CC[CH](O)CN1C(=O)N(C)c2ccc(Nc 3ccnc(Cl)c3C#N)cc12; CC[C@@H](CN1c2cc(cc c2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O; CCC(CN1c2 cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)Cl)O |
2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile |
| 35030 |  NR9 CHEMBL393929 ZINC000028821265 |
3 | C18 H13 N3 O S2 | InChI=1S/C18H13N3OS2/c22- 17-16(24-18(21-17)20-11-1 4-4-2-8-23-14)10-12-5-6-1 5-13(9-12)3-1-7-19-15/h1- 10H,11H2,(H,20,21,22)/b16 -10-; XOLMRFUGOINFDQ-YBEGLDIGSA-N |
O=C\1N=C(NCc2sccc2)SC\1=C\c3ccc4ncccc4c3 ; c1cc2cc(ccc2nc1)C=C3C(=O)N=C(S3)NCc4cc cs4; O=C1N=C(S/C1=C\c3cc2cccnc2cc3)NCc4s ccc4; c1cc2cc(ccc2nc1)/C=C\3/C(=O)N=C(S3 )NCc4cccs4; O=C1N=C(NCc2sccc2)SC1=Cc3ccc 4ncccc4c3 |
(5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one |
| 35031 |  NRA CHEMBL187265 ZINC000006090922 |
1 | C13 H8 O6 | InChI=1S/C13H8O6/c14-5-1- 9(17)12-11(2-5)19-10-4-8( 16)7(15)3-6(10)13(12)18/h 1-4,14-17H; ZHTQCPCDXKMMLU-UHFFFAOYSA-N |
O=C1c3c(Oc2c1c(O)cc(O)c2)cc(O)c(O)c3; c1 c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O; Oc1c c(O)c2C(=O)c3cc(O)c(O)cc3Oc2c1 |
norathyriol; 1,3,6,7-tetrahydroxy-9H-xanthen-9-one |
| 35032 |  NRB ZINC000016051866 |
5 | C28 H47 N O7 | InChI=1S/C28H47NO7/c1-10- 23-15(2)11-12-22(30)16(3) 13-17(4)26(19(6)24(31)20( 7)27(33)35-23)36-28-25(32 )21(29(8)9)14-18(5)34-28/ h11-12,15-21,23,25-26,28, 32H,10,13-14H2,1-9H3/b12- 11+/t15-,16-,17+,18+,19-, 20-,21-,23-,25-,26+,28-/m 1/s1; OXFYAOOMMKGGAI-ZMIJTAGNSA-N |
CC[CH]1OC(=O)[CH](C)C(=O)[CH](C)[CH](O[C H]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH](C)C[C H](C)C(=O)C=C[CH]1C; CCC1C(C=CC(=O)C(CC( C(C(C(=O)C(C(=O)O1)C)C)OC2C(C(CC(O2)C)N( C)C)O)C)C)C; CC[C@@H]1[C@@H](\C=C\C(=O)[ C@@H](C[C@@H]([C@@H]([C@@H](C(=O)[C@H](C (=O)O1)C)C)O[C@@H]2[C@@H]([C@@H](C[C@@H] (O2)C)N(C)C)O)C)C)C; CC[C@H]1OC(=O)[C@H] (C)C(=O)[C@@H](C)[C@@H](O[C@H]2O[C@@H](C )C[C@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C )C(=O)\C=C\[C@H]1C; O=C2C(C(OC1OC(CC(N(C )C)C1O)C)C(C)CC(C(=O)C=CC(C)C(OC(=O)C2C) CC)C)C |
NARBOMYCIN |
| 35033 |  NRC |
1 | C16 H15 Cl N2 O3 | InChI=1S/C16H15ClN2O3/c1- 10-6-7-18-9-13(10)19-15(2 0)14(16(21)22-2)11-4-3-5- 12(17)8-11/h3-9,14H,1-2H3 ,(H,19,20)/t14-/m1/s1; LOFUGDOYUSJHEA-CQSZACIVSA-N |
O=C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(=O)OC; C c1ccncc1NC(=O)[C@@H](c2cccc(c2)Cl)C(=O)O C; COC(=O)[C@@H](C(=O)Nc1cnccc1C)c2cccc( Cl)c2; Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)C(= O)OC; COC(=O)[CH](C(=O)Nc1cnccc1C)c2cccc (Cl)c2 |
methyl (2R)-2-(3-chlorophenyl)-3-[(4-methylpyridin-3-yl)amino]-3-oxopropanoate |
| 35034 |  NRD CHEMBL55214 DB11620 ZINC000001999491 |
4 | C6 H17 N O7 P2 | InChI=1S/C6H17NO7P2/c7-5- 3-1-2-4-6(8,15(9,10)11)16 (12,13)14/h8H,1-5,7H2,(H2 ,9,10,11)(H2,12,13,14); PUUSSSIBPPTKTP-UHFFFAOYSA-N |
C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCN; NCCCCC C(O)([P](O)(O)=O)[P](O)(O)=O |
(6-azanyl-1-oxidanyl-1-phosphono-hexyl)phosphonic acid |
| 35035 |  NRE CHEMBL2413522 ZINC000096917227 |
2 | C20 H23 Br F N3 O2 | InChI=1S/C20H23BrFN3O2/c1 -13-6-8-15(11-24-18-9-7-1 4(21)10-23-18)25(12-13)20 (26)16-4-3-5-17(22)19(16) 27-2/h3-5,7,9-10,13,15H,6 ,8,11-12H2,1-2H3,(H,23,24 )/t13-,15-/m0/s1; TWCRHJLMMAYSTE-ZFWWWQNUSA-N |
CC1CCC(N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(c n3)Br; COc1c(F)cccc1C(=O)N2C[CH](C)CC[CH ]2CNc3ccc(Br)cn3; COc1c(F)cccc1C(=O)N2C[ C@@H](C)CC[C@H]2CNc3ccc(Br)cn3; C[C@H]1C C[C@H](N(C1)C(=O)c2cccc(c2OC)F)CNc3ccc(c n3)Br |
[(2~{S},5~{S})-2-[[(5-bromanylpyridin-2-yl)amino]methyl]-5-methyl-piperidin-1-yl]-(3-fluoranyl-2-methoxy-phenyl)methanone |
| 35036 |  NRF CHEMBL1881194 ZINC000000271610 |
5 | C12 H9 Cl F3 N3 O | InChI=1S/C12H9ClF3N3O/c1- 17-9-6-18-19(11(20)10(9)1 3)8-4-2-3-7(5-8)12(14,15) 16/h2-6,17H,1H3; NVGOPFQZYCNLDU-UHFFFAOYSA-N |
CNC1=C(C(=O)N(N=C1)c2cccc(c2)C(F)(F)F)Cl ; CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F )F |
Norflurazon |
| 35037 |  NRG CHEMBL227744 DB04223 ZINC000019796052 |
7 | C6 H13 N5 O4 | InChI=1S/C6H13N5O4/c7-4(5 (12)13)2-1-3-9-6(8)10-11( 14)15/h4H,1-3,7H2,(H,12,1 3)(H3,8,9,10)/t4-/m0/s1; MRAUNPAHJZDYCK-BYPYZUCNSA-N |
N[CH](CCCNC(=N)N[N+]([O-])=O)C(O)=O; [O- ][N+](=O)NC(=[N@H])NCCCC(C(=O)O)N; N[C@@ H](CCCNC(=N)N[N+]([O-])=O)C(O)=O; [H]/N= C(\NCCC[C@@H](C(=O)O)N)/N[N+](=O)[O-]; [ H]N=C(NCCCC(C(=O)O)N)N[N+](=O)[O-] |
N-OMEGA-NITRO-L-ARGININE; NNA |
| 35038 |  NRH CHEMBL275224 ZINC000000066039 |
12 | C11 H8 N2 | InChI=1S/C11H8N2/c1-2-4-1 0-8(3-1)9-5-6-12-7-11(9)1 3-10/h1-7,13H; AIFRHYZBTHREPW-UHFFFAOYSA-N |
n3ccc2c1c(cccc1)nc2c3; c1ccc2c(c1)c3ccnc c3[nH]2; [nH]1c2ccccc2c3ccncc13 |
Norharmane; 9H-beta-carboline |
| 35039 |  NRI ZINC000005975943 |
0 | C5 H12 N O5 P | InChI=1S/C5H12NO5P/c7-5-2 -6-1-4(5)3-11-12(8,9)10/h 4-7H,1-3H2,(H2,8,9,10)/t4 -,5+/m1/s1; DZBMWXHITVAZTC-UHNVWZDZSA-N |
O[C@H]1CNC[C@@H]1CO[P](O)(O)=O; O[CH]1CN C[CH]1CO[P](O)(O)=O; C1[C@@H]([C@H](CN1) O)COP(=O)(O)O; C1C(C(CN1)O)COP(=O)(O)O; O=P(OCC1CNCC1O)(O)O |
PHOSPHORIC ACID MONO-(4-HYDROXY-PYRROLIDIN-3-YLMETHYL) ESTER |
| 35040 |  NRJ CHEMBL4515523 |
1 | C28 H28 Cl N5 O5 | InChI=1S/C28H28ClN5O5/c1- 38-27(36)31-19-10-11-20-2 1(15-19)32-25(35)9-4-2-3- 8-23(26-30-16-22(20)33-26 )34-13-12-24(39-28(34)37) 17-6-5-7-18(29)14-17/h2-3 ,5-7,10-11,14-16,23-24H,4 ,8-9,12-13H2,1H3,(H,30,33 )(H,31,36)(H,32,35)/b3-2+ /t23-,24+/m0/s1; ZRELHZVMHRERCT-KXHVVKIWSA-N |
COC(=O)Nc1ccc-2c(c1)NC(=O)CC/C=C/C[C@@H] (c3[nH]cc2n3)N4CC[C@@H](OC4=O)c5cccc(c5) Cl; COC(=O)Nc1ccc2c(NC(=O)CC/C=C/C[C@H]( N3CC[C@@H](OC3=O)c4cccc(Cl)c4)c5[nH]cc2n 5)c1; c3cc(cc4NC(CCC=CCC(N1C(OC(CC1)c2cc cc(Cl)c2)=O)c5nc(c34)cn5)=O)NC(OC)=O; CO C(=O)Nc1ccc-2c(c1)NC(=O)CCC=CCC(c3[nH]cc 2n3)N4CCC(OC4=O)c5cccc(c5)Cl; COC(=O)Nc1 ccc2c(NC(=O)CCC=CC[CH](N3CC[CH](OC3=O)c4 cccc(Cl)c4)c5[nH]cc2n5)c1 |
methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate |
| 35041 |  NRK CHEMBL3545367 DB11951 ZINC000118073503 |
3 | C22 H20 F2 N4 O2 | InChI=1S/C22H20F2N4O2/c1- 13-19(11-25-14(2)27-13)30 -12-22(15-4-3-5-16(23)8-1 5)9-18(22)21(29)28-20-7-6 -17(24)10-26-20/h3-8,10-1 1,18H,9,12H2,1-2H3,(H,26, 28,29)/t18-,22+/m0/s1; MUGXRYIUWFITCP-PGRDOPGGSA-N |
Cc1c(cnc(n1)C)OCC2(CC2C(=O)Nc3ccc(cn3)F) c4cccc(c4)F; Cc1ncc(OC[C@]2(C[C@H]2C(=O) Nc3ccc(F)cn3)c4cccc(F)c4)c(C)n1; Cc1c(cn c(n1)C)OC[C@]2(C[C@H]2C(=O)Nc3ccc(cn3)F) c4cccc(c4)F; Cc1ncc(OC[C]2(C[CH]2C(=O)Nc 3ccc(F)cn3)c4cccc(F)c4)c(C)n1 |
(1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide |
| 35042 |  NRL |
0 | C12 H17 N5 O5 | InChI=1S/C12H17N5O5/c13-7 -5-22-6-8(7)17(4-11(19)20 )10(18)3-16-2-1-9(14)15-1 2(16)21/h1-2,7-8H,3-6,13H 2,(H,19,20)(H2,14,15,21)/ t7-,8-/m0/s1; SSCQFEZTHMEZLU-YUMQZZPRSA-N |
N[CH]1COC[CH]1N(CC(O)=O)C(=O)CN2C=CC(=NC 2=O)N; N[C@H]1COC[C@@H]1N(CC(O)=O)C(=O)C N2C=CC(=NC2=O)N; C1C(C(CO1)N(CC(=O)O)C(= O)CN2C=CC(=NC2=O)N)N; C1[C@@H]([C@H](CO1 )N(CC(=O)O)C(=O)CN2C=CC(=NC2=O)N)N; OC(= O)CN(C1COCC1N)C(=O)CN1C=CC(N)=NC1=O |
N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]glycine |
| 35043 |  NRM CHEMBL1234822 ZINC000058639126 |
1 | C13 H11 N7 S | InChI=1S/C13H11N7S/c1-8-4 -11(21-19-8)18-12-13-15-7 -10(9-5-16-17-6-9)20(13)3 -2-14-12/h2-7H,1H3,(H,14, 18)(H,16,17); XWFNCZUACYBPGT-UHFFFAOYSA-N |
Cc1cc(sn1)Nc2c3ncc(n3ccn2)c4c[nH]nc4; Cc 1cc(Nc2nccn3c(cnc23)c4c[nH]nc4)sn1; n4c( Nc1snc(c1)C)c3ncc(c2cnnc2)n3cc4 |
N-(3-methylisothiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine |
| 35044 |  NRN CHEMBL129014 |
2 | C10 H13 N5 O3 | InChI=1S/C10H13N5O3/c11-9 -6-10(13-2-12-9)15(3-14-6 )4-1-5(16)8(18)7(4)17/h2- 5,7-8,16-18H,1H2,(H2,11,1 2,13)/t4-,5+,7+,8-/m1/s1; VFKHECGAEJNAMV-HETMPLHPSA-N |
c1nc(c2c(n1)n(cn2)[C@@H]3C[C@@H]([C@H]([ C@H]3O)O)O)N; Nc1ncnc2n(cnc12)[CH]3C[CH] (O)[CH](O)[CH]3O; Nc1ncnc2n(cnc12)[C@@H] 3C[C@H](O)[C@@H](O)[C@H]3O; c1nc(c2c(n1) n(cn2)C3CC(C(C3O)O)O)N |
(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)cyclopentane-1,2,3-triol; noraristeromycin |
| 35045 |  NRO DB08302 ZINC000006050692 |
3 | C16 H15 N O5 | InChI=1S/C16H15NO5/c1-2-4 -13(17(20)21)10-14-7-8-15 (22-14)11-5-3-6-12(9-11)1 6(18)19/h3,5-10H,2,4H2,1H 3,(H,18,19)/b13-10-; IRHZCQDCMUWUKV-RAXLEYEMSA-N |
CCCC(=Cc1oc(cc1)c2cccc(c2)C(O)=O)[N+]([O -])=O; CCCC(=Cc1ccc(o1)c2cccc(c2)C(=O)O) [N+](=O)[O-]; CCC\C(=C\c1oc(cc1)c2cccc(c 2)C(O)=O)[N+]([O-])=O; [O-][N+](=O)/C(=C \c1oc(cc1)c2cccc(C(=O)O)c2)CCC |
3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid |
| 35046 |  NRP |
0 | C17 H19 N3 O4 | InChI=1S/C17H19N3O4/c1-10 (2)7-13(18)16-19-14(17(24 )20(16)9-15(22)23)8-11-3- 5-12(21)6-4-11/h3-6,8,10, 18,21H,7,9H2,1-2H3,(H,22, 23)/b14-8+,18-13+; BJIZAOIYQSFLFE-VHQTWSSFSA-N |
[H]/N=C(\CC(C)C)/C1=NC(=Cc2ccc(cc2)O)C(= O)N1CC(=O)O; CC(C)CC(=N)C1=NC(=Cc2ccc(O) cc2)C(=O)N1CC(O)=O; O=C1C(\N=C(C(=[N@H]) CC(C)C)N1CC(=O)O)=C/c2ccc(O)cc2; CC(C)CC (=N)C1=NC(=C/c2ccc(O)cc2)/C(=O)N1CC(O)=O ; CC(C)CC(=N)C1=NC(=Cc2ccc(cc2)O)C(=O)N1 CC(=O)O |
{4-[(4-hydroxyphenyl)methylidene]-2-[(1E)-3-methylbutanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid; CHROMOPHORE (LEU-TYR-GLY) |
| 35047 |  NRQ |
1 | C16 H17 N3 O4 S | InChI=1S/C16H17N3O4S/c1-2 4-7-6-12(17)15-18-13(16(2 3)19(15)9-14(21)22)8-10-2 -4-11(20)5-3-10/h2-5,8,17 ,20H,6-7,9H2,1H3,(H,21,22 )/b13-8-,17-12-; QMTDZFYJRUOYRB-JEAYZUIJSA-N |
[H]N=C(CCSC)C1=NC(=Cc2ccc(cc2)O)C(=O)N1C C(=O)O; [H]/N=C(/CCSC)\C1=N/C(=C\c2ccc(c c2)O)/C(=O)N1CC(=O)O; CSCCC(=N)C1=NC(=Cc 2ccc(O)cc2)C(=O)N1CC(O)=O; CSCCC(=N)C1=N \C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O; O=C1C( \N=C(C(=[N@H])CCSC)N1CC(=O)O)=C\c2ccc(O) cc2 |
{(4Z)-4-(4-hydroxybenzylidene)-2-[3-(methylthio)propanimidoyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid; CHROMOPHORE (MET-TYR-GLY) |
| 35048 |  NRR |
1 | C27 H29 N5 O | InChI=1S/C27H29N5O/c1-30( 2)11-10-26(33)20-6-9-25-2 3(16-20)24-17-21(18-28-27 (24)29-25)19-4-7-22(8-5-1 9)32-14-12-31(3)13-15-32/ h4-11,16-18H,12-15H2,1-3H 3,(H,28,29)/b11-10-; JFOIWAWELQEHHK-KHPPLWFESA-N |
CN1CCN(CC1)c2ccc(cc2)c3cc4c5cc(ccc5[nH]c 4nc3)C(=O)C=CN(C)C; CN(C)\C=C/C(=O)c1ccc 2[nH]c3ncc(cc3c2c1)c4ccc(cc4)N5CCN(C)CC5 ; CN(C)C=CC(=O)c1ccc2[nH]c3ncc(cc3c2c1)c 4ccc(cc4)N5CCN(C)CC5 |
3-(dimethylamino)-1-[3-[4-(4-methylpiperazin-1-yl)phenyl]-9~{H}-pyrido[2,3-b]indol-6-yl]prop-2-en-1-one |
| 35049 |  NRS CHEMBL3931964 |
1 | C19 H15 N3 O4 S | InChI=1S/C19H15N3O4S/c1-2 2(14-7-6-12-4-2-3-5-13(12 )10-14)27(25,26)15-8-9-16 -17(11-15)21-19(24)18(23) 20-16/h2-11H,1H3,(H,20,23 )(H,21,24); HSAXTPZNMSIOAI-UHFFFAOYSA-N |
CN(c1ccc2ccccc2c1)S(=O)(=O)c3ccc4c(c3)NC (=O)C(=O)N4; CN(c1ccc2ccccc2c1)[S](=O)(= O)c3ccc4NC(=O)C(=O)Nc4c3; O=S(c1ccc2c(c1 )NC(C(N2)=O)=O)(N(C)c3ccc4c(c3)cccc4)=O |
N-methyl-N-(naphthalen-2-yl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide |
| 35050 |  NRT |
0 | C10 H13 N5 O2 | InChI=1S/C10H13N5O2/c11-1 0-14-8-7(12-5-13-8)9(15-1 0)17-4-6-2-1-3-16-6/h5-6H ,1-4H2,(H3,11,12,13,14,15 )/t6-/m0/s1; HNPVBOXKEKDGNE-LURJTMIESA-N |
Nc1nc2[nH]cnc2c(OC[C@@H]3CCCO3)n1; c1[nH ]c2c(n1)c(nc(n2)N)OC[C@@H]3CCCO3; Nc1nc2 [nH]cnc2c(OC[CH]3CCCO3)n1; n2c(OCC1OCCC1 )c3ncnc3nc2N; c1[nH]c2c(n1)c(nc(n2)N)OCC 3CCCO3 |
6-(TETRAHYDRO-2-FURANYLMETHOXY)-9H-PURIN-2-AMINE |
| 35051 |  NRU |
0 | H18 N6 Ru | InChI=1S/6H3N.Ru/h6*1H3;/ q;;;;;;+3; HOOVQFBYNWLMGV-UHFFFAOYSA-N |
N.N.N.N.N.N.[Ru+3]; [NH3][Ru+3]([NH3])([ NH3])([NH3])([NH3])[NH3] |
RUTHENIUM (III) HEXAAMINE ION; HEXAAMINORUTHENIUM |
| 35052 |  NRV CHEMBL1524317 ZINC000002205864 |
1 | C16 H20 F N5 S | InChI=1S/C16H20FN5S/c1-4- 22(5-2)8-9-23-16-18-15-14 (19-20-16)12-10-11(17)6-7 -13(12)21(15)3/h6-7,10H,4 -5,8-9H2,1-3H3; CBDNCFPVVCMFOD-UHFFFAOYSA-N |
CCN(CC)CCSc1nc2c(c3cc(ccc3n2C)F)nn1; CCN (CC)CCSc1nnc2c3cc(F)ccc3n(C)c2n1; Cn2c1c cc(cc1c3c2nc(SCCN(CC)CC)nn3)F |
N,N-diethyl-2-[(8-fluoro-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethan-1-amine |
| 35053 |  NRW ZINC000048344789 |
1 | C12 H13 N3 O2 | InChI=1S/C12H13N3O2/c1-9- 6-11(17-14-9)12(16)15(2)8 -10-4-3-5-13-7-10/h3-7H,8 H2,1-2H3; YRZCJLIACJLYBI-UHFFFAOYSA-N |
Cc1cc(on1)C(=O)N(C)Cc2cccnc2; CN(Cc1cccn c1)C(=O)c2onc(C)c2; Cc2cc(C(N(C)Cc1cccnc 1)=O)on2 |
N,3-dimethyl-N-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide |
| 35054 |  NRX |
1 | C15 H12 Cl N3 O | InChI=1S/C15H12ClN3O/c16- 12-5-3-4-11(8-12)9-14(20) 18-15-13-6-1-2-7-19(13)10 -17-15/h1-8,10H,9H2,(H,18 ,20); SDPLNJUUYIUIPZ-UHFFFAOYSA-N |
Clc1cccc(CC(=O)Nc2ncn3ccccc23)c1; c1ccn2 cnc(c2c1)NC(=O)Cc3cccc(c3)Cl; Clc1cccc(c 1)CC(=O)Nc1ncn2ccccc12 |
2-(3-chlorophenyl)-N-[(4S)-imidazo[1,5-a]pyridin-1-yl]acetamide |
| 35055 |  NRY |
1 | C21 H15 F2 N2 O | InChI=1S/C21H15F2N2O/c22- 17-7-3-15(4-8-17)20(26)14 -25-13-12-24-11-1-2-19(24 )21(25)16-5-9-18(23)10-6- 16/h1-13H,14H2/q+1; QVAOSDLYVRSWEJ-UHFFFAOYSA-N |
c1cc2c([n+](ccn2c1)CC(=O)c3ccc(cc3)F)c4c cc(cc4)F; c2[n+](c(c1ccc(F)cc1)c3cccn3c2 )CC(=O)c4ccc(cc4)F; Fc1ccc(cc1)C(=O)C[n+ ]2ccn3cccc3c2c4ccc(F)cc4 |
1-(4-fluorophenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]pyrrolo[1,2-a]pyrazin-2-ium |
| 35056 |  NRZ CHEMBL3597952 ZINC000009068446 |
1 | C20 H24 N2 O4 S | InChI=1S/C20H24N2O4S/c1-1 4-11-15(2)13-16(12-14)21- 20(23)19-5-4-10-22(19)27( 24,25)18-8-6-17(26-3)7-9- 18/h6-9,11-13,19H,4-5,10H 2,1-3H3,(H,21,23)/t19-/m0 /s1; NHPQGZOBHSVTAQ-IBGZPJMESA-N |
COc1ccc(cc1)[S](=O)(=O)N2CCC[C@H]2C(=O)N c3cc(C)cc(C)c3; COc1ccc(cc1)[S](=O)(=O)N 2CCC[CH]2C(=O)Nc3cc(C)cc(C)c3; Cc1cc(cc( c1)NC(=O)C2CCCN2S(=O)(=O)c3ccc(cc3)OC)C; Cc1cc(cc(c1)NC(=O)[C@@H]2CCCN2S(=O)(=O) c3ccc(cc3)OC)C |
(2~{S})-~{N}-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide |
| 35057 |  NS0 ZINC000058638795 |
101 | C40 H60 | InChI=1S/C40H60/c1-33(2)1 9-13-23-37(7)27-17-31-39( 9)29-15-25-35(5)21-11-12- 22-36(6)26-16-30-40(10)32 -18-28-38(8)24-14-20-34(3 )4/h11-12,15-17,19,21-22, 25-31,34H,13-14,18,20,23- 24,32H2,1-10H3/b12-11+,25 -15+,26-16+,31-17+,35-21+ ,36-22+,37-27+,38-28+,39- 29+,40-30+; NHKJSVKSSGKUCH-XILUKMICSA-N |
CC(C)CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C /C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC=C(C)C; CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C( \C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C )/C)/C; CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC =CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C; CC( C)CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C) C=CC=C(C)CCC=C(C)C)C)C)C |
all-trans-1,2-dihydroneurosporene |
| 35058 |  NS1 ZINC000064436656 |
1 | C40 H60 | InChI=1S/C40H60/c1-33(2)1 9-13-23-37(7)27-17-31-39( 9)29-15-25-35(5)21-11-12- 22-36(6)26-16-30-40(10)32 -18-28-38(8)24-14-20-34(3 )4/h11-12,15-17,19,21-22, 25-31,34H,13-14,18,20,23- 24,32H2,1-10H3/b12-11+,25 -15+,26-16+,31-17+,35-21+ ,36-22-,37-27+,38-28+,39- 29+,40-30+; NHKJSVKSSGKUCH-HFHFAFRXSA-N |
CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C\C=C\C=C(/ C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C) /C)/C; CC(C)CCC\C(C)=C\CC\C(C)=C\C=C\C(C )=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC =C(C)C; CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC =CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C; CC( C)CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C) C=CC=C(C)CCC=C(C)C)C)C)C |
15-trans-1,2-dihydroneurosporene |
| 35059 |  NS2 CHEMBL4297590 DB15031 |
2 | C23 H23 Cl N6 O2 | InChI=1S/C23H23ClN6O2/c1- 14-17(24)6-7-18-20(14)28- 22(27-18)23(2)9-4-12-29(2 3)21(31)16-13-15(32-3)5-8 -19(16)30-25-10-11-26-30/ h5-8,10-11,13H,4,9,12H2,1 -3H3,(H,27,28)/t23-/m0/s1; NBGABHGMJVIVBW-QHCPKHFHSA-N |
Cc1c(ccc2c1[nH]c(n2)C3(CCCN3C(=O)c4cc(cc c4n5nccn5)OC)C)Cl; COc1ccc(n2nccn2)c(c1) C(=O)N3CCC[C]3(C)c4[nH]c5c(C)c(Cl)ccc5n4 ; Cc1c(ccc2c1[nH]c(n2)[C@@]3(CCCN3C(=O)c 4cc(ccc4n5nccn5)OC)C)Cl; COc1ccc(n2nccn2 )c(c1)C(=O)N3CCC[C@@]3(C)c4[nH]c5c(C)c(C l)ccc5n4 |
[(2~{S})-2-(6-chloranyl-7-methyl-1~{H}-benzimidazol-2-yl)-2-methyl-pyrrolidin-1-yl]-[5-methoxy-2-(1,2,3-triazol-2-yl)phenyl]methanone |
| 35060 |  NS3 DB08303 ZINC000053683061 |
1 | C18 H28 N4 O4 S2 | InChI=1S/C18H28N4O4S2/c1- 13-11-15-17(27(23,24)20-1 8(19-15)14-5-3-4-6-14)12- 16(13)28(25,26)22-9-7-21( 2)8-10-22/h11-12,14,18-20 H,3-10H2,1-2H3/t18-/m0/s1; CUMKMTBOHBENJI-SFHVURJKSA-N |
CN1CCN(CC1)[S](=O)(=O)c2cc3c(N[C@@H](N[S ]3(=O)=O)C4CCCC4)cc2C; O=S(=O)(c1c(cc2c( c1)S(=O)(=O)NC(N2)C3CCCC3)C)N4CCN(C)CC4; Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(= O)N[C@H](N2)C4CCCC4; CN1CCN(CC1)[S](=O)( =O)c2cc3c(N[CH](N[S]3(=O)=O)C4CCCC4)cc2C ; Cc1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)( =O)NC(N2)C4CCCC4 |
(3S)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide |
| 35061 |  NS4 CHEMBL7162 DB14060 ZINC000003791739 |
2 | C13 H18 N2 O5 S | InChI=1S/C13H18N2O5S/c1-2 1(18,19)14-12-8-7-10(15(1 6)17)9-13(12)20-11-5-3-2- 4-6-11/h7-9,11,14H,2-6H2, 1H3; KTDZCOWXCWUPEO-UHFFFAOYSA-N |
CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O -]; C[S](=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+] ([O-])=O; [O-][N+](=O)c2cc(OC1CCCCC1)c(N S(=O)(=O)C)cc2 |
N-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide |
| 35062 |  NS5 ZINC000064436376 |
36 | C40 H60 | InChI=1S/C40H60/c1-33(2)1 9-13-23-37(7)27-17-31-39( 9)29-15-25-35(5)21-11-12- 22-36(6)26-16-30-40(10)32 -18-28-38(8)24-14-20-34(3 )4/h11-12,15-17,19,21-22, 25-31,34H,13-14,18,20,23- 24,32H2,1-10H3/b12-11-,25 -15+,26-16+,31-17+,35-21+ ,36-22+,37-27+,38-28+,39- 29+,40-30+; NHKJSVKSSGKUCH-DBWJSHEJSA-N |
CC(C)CCC/C(=C/CC/C(=C/C=C/C(=C/C=C\C=C(/ C)\C=C\C=C(/C)\C=C\C=C(/C)\CCC=C(C)C)/C) /C)/C; CC(C)CCC\C(C)=C\CC\C(C)=C\C=C\C(C )=C\C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)CCC =C(C)C; CC(C)CCCC(C)=CCCC(C)=CC=CC(C)=CC =CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C; CC( C)CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C) C=CC=C(C)CCC=C(C)C)C)C)C |
15-cis-1,2-dihydroneurosporene |
| 35063 |  NS6 DB08304 ZINC000038397218 |
4 | C18 H27 N3 O4 S2 | InChI=1S/C18H27N3O4S2/c1- 20-8-10-21(11-9-20)27(24, 25)16-7-6-15-12-17(14-4-2 -3-5-14)19-26(22,23)18(15 )13-16/h6-7,13-14,17,19H, 2-5,8-12H2,1H3/t17-/m1/s1; QZBQVXXESPXFPZ-QGZVFWFLSA-N |
CN1CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O) NC(C3)C4CCCC4; CN1CCN(CC1)[S](=O)(=O)c2c cc3C[C@@H](N[S](=O)(=O)c3c2)C4CCCC4; CN1 CCN(CC1)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)N[C @H](C3)C4CCCC4; O=S(=O)(c1ccc2c(c1)S(=O) (=O)NC(C2)C3CCCC3)N4CCN(C)CC4; CN1CCN(CC 1)[S](=O)(=O)c2ccc3C[CH](N[S](=O)(=O)c3c 2)C4CCCC4 |
(3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide |
| 35064 |  NS7 DB08305 ZINC000039286895 |
2 | C19 H29 N3 O4 S2 | InChI=1S/C19H29N3O4S2/c1- 14-11-16-12-17(15-5-3-4-6 -15)20-27(23,24)19(16)13- 18(14)28(25,26)22-9-7-21( 2)8-10-22/h11,13,15,17,20 H,3-10,12H2,1-2H3/t17-/m1 /s1; KQAGZLQCEURCKJ-QGZVFWFLSA-N |
CN1CCN(CC1)[S](=O)(=O)c2cc3c(C[CH](N[S]3 (=O)=O)C4CCCC4)cc2C; O=S(=O)(c1c(cc2c(c1 )S(=O)(=O)NC(C2)C3CCCC3)C)N4CCN(C)CC4; C c1cc2c(cc1S(=O)(=O)N3CCN(CC3)C)S(=O)(=O) NC(C2)C4CCCC4; Cc1cc2c(cc1S(=O)(=O)N3CCN (CC3)C)S(=O)(=O)N[C@H](C2)C4CCCC4; CN1CC N(CC1)[S](=O)(=O)c2cc3c(C[C@@H](N[S]3(=O )=O)C4CCCC4)cc2C |
(3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide |
| 35065 |  NS8 CHEMBL230156 ZINC000001700197 |
3 | C8 H7 N O2 | InChI=1S/C8H7NO2/c10-9(11 )7-6-8-4-2-1-3-5-8/h1-7H/ b7-6+; PIAOLBVUVDXHHL-VOTSOKGWSA-N |
c1ccc(cc1)/C=C/[N+](=O)[O-]; [O-][N+](=O )/C=C/c1ccccc1; [O-][N+](=O)C=Cc1ccccc1; c1ccc(cc1)C=C[N+](=O)[O-]; [O-][N+]([C@ H]=Cc1ccccc1)=O |
trans beta nitrostyrene |
| 35066 |  NS9 CHEMBL1234833 ZINC000058655676 |
2 | C20 H27 N5 O3 | InChI=1S/C20H27N5O3/c1-13 (2)15-10-22-25-19(21-9-14 -6-4-3-5-7-14)8-18(24-20( 15)25)23-16(11-26)17(28)1 2-27/h3-8,10,13,16-17,21, 26-28H,9,11-12H2,1-2H3,(H ,23,24)/t16-,17+/m0/s1; KRIWIRSMQRQYJG-DLBZAZTESA-N |
CC(C)c1cnn2c1nc(cc2NCc3ccccc3)N[C@@H](CO )[C@@H](CO)O; CC(C)c1cnn2c(NCc3ccccc3)cc (N[CH](CO)[CH](O)CO)nc12; CC(C)c1cnn2c1n c(cc2NCc3ccccc3)NC(CO)C(CO)O; n2c(cc(NCc 1ccccc1)n3ncc(c23)C(C)C)NC(C(O)CO)CO; CC (C)c1cnn2c(NCc3ccccc3)cc(N[C@@H](CO)[C@H ](O)CO)nc12 |
(2S,3S)-3-{[7-(benzylamino)-3-(1-methylethyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino}butane-1,2,4-triol |
| 35067 |  NSA CHEMBL1234834 ZINC000001564818 |
0 | C8 H7 Cl2 N O | InChI=1S/C8H7Cl2NO/c9-7(1 0)8(12)11-6-4-2-1-3-5-6/h 1-5,7H,(H,11,12); KJSVAEGLTPBKAA-UHFFFAOYSA-N |
O=C(Nc1ccccc1)C(Cl)Cl; ClC(Cl)C(=O)Nc1cc ccc1; c1ccc(cc1)NC(=O)C(Cl)Cl |
2,2-DICHLORO-N-PHENYL-ACETAMIDE |
| 35068 |  NSB ZINC000001674777 |
1 | C6 H16 N O3 S | InChI=1S/C6H15NO3S/c1-7(2 ,3)5-4-6-11(8,9)10/h4-6H2 ,1-3H3/p+1; WFJHXXPYPMNRPK-UHFFFAOYSA-O |
O=S(=O)(O)CCC[N+](C)(C)C; C[N+](C)(C)CCC S(=O)(=O)O; C[N+](C)(C)CCC[S](O)(=O)=O |
N,N,N-TRIMETHYL-3-SULFOPROPAN-1-AMINIUM |
| 35069 |  NSC CHEMBL87223 DB04452 ZINC000022910880 |
4 | C21 H20 N6 O | InChI=1S/C21H20N6O/c1-11- 7-17(22)15-9-13(3-5-19(15 )24-11)26-21(28)27-14-4-6 -20-16(10-14)18(23)8-12(2 )25-20/h3-10H,1-2H3,(H2,2 2,24)(H2,23,25)(H2,26,27, 28); HOUSDILKOJMENG-UHFFFAOYSA-N |
Cc1cc(N)c2cc(NC(=O)Nc3ccc4nc(C)cc(N)c4c3 )ccc2n1; c2c1c(N)cc(C)nc1ccc2NC(=O)Nc4cc 3c(N)cc(C)nc3cc4; Cc1cc(c2cc(ccc2n1)NC(= O)Nc3ccc4c(c3)c(cc(n4)C)N)N |
N,N'-BIS(4-AMINO-2-METHYLQUINOLIN-6-YL)UREA |
| 35070 |  NSD CHEMBL28743 ZINC000001529642 |
5 | C6 H17 N3 | InChI=1S/C6H17N3/c7-3-1-5 -9-6-2-4-8/h9H,1-8H2; OTBHHUPVCYLGQO-UHFFFAOYSA-N |
C(CN)CNCCCN; NCCCNCCCN | N-(3-aminopropyl)propane-1,3-diamine |
| 35071 |  NSE CHEMBL3103988 ZINC000078938112 |
12 | C14 H8 N4 O | InChI=1S/C14H8N4O/c15-8-1 0-3-1-4-11(7-10)14-17-13( 18-19-14)12-5-2-6-16-9-12 /h1-7,9H; HGFXDSQLRSWUBO-UHFFFAOYSA-N |
c1cc(cc(c1)c2nc(no2)c3cccnc3)C#N; N#Cc1c ccc(c1)c2onc(n2)c3cccnc3; N#Cc3cccc(c1nc (no1)c2cnccc2)c3 |
3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile; NS9283 |
| 35072 |  NSF |
0 | C12 H15 I N4 O6 | InChI=1S/C12H15IN4O6/c13- 6-1-16(12(22)15-11(6)21)2 -9(18)17(3-10(19)20)8-5-2 3-4-7(8)14/h1,7-8H,2-5,14 H2,(H,19,20)(H,15,21,22)/ t7-,8-/m0/s1; ZIWCTTLPOMQDJH-YUMQZZPRSA-N |
C1[C@@H]([C@H](CO1)N(CC(=O)O)C(=O)CN2C=C (C(=O)NC2=O)I)N; N[CH]1COC[CH]1N(CC(O)=O )C(=O)CN2C=C(I)C(=O)NC2=O; C1C(C(CO1)N(C C(=O)O)C(=O)CN2C=C(C(=O)NC2=O)I)N; OC(=O )CN(C1COCC1N)C(=O)CN1C=C(I)C(=O)NC1=O; N [C@H]1COC[C@@H]1N(CC(O)=O)C(=O)CN2C=C(I) C(=O)NC2=O |
N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-iodo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine |
| 35073 |  NSG ZINC000199600282 |
2 | C8 H15 N O4 S | InChI=1S/C8H15NO4S/c1-3-9 -5-7(12)6(11)4(2-10)13-8( 5)14-3/h3-12H,2H2,1H3/t3- ,4+,5+,6-,7+,8+/m0/s1; XWPUWEBFKDEDIF-JMHNFOGYSA-N |
CC1NC2C(C(C(OC2S1)CO)O)O; C[CH]1N[CH]2[C H](O)[CH](O)[CH](CO)O[CH]2S1; C[C@H]1N[C @@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H] 2S1; C[C@H]1N[C@@H]2[C@H]([C@H]([C@H](O[ C@@H]2S1)CO)O)O |
(2S,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-2,3a,5,6,7,7a-hexahydro-1H-pyrano[3,2-d][1,3]thiazole-6,7-diol |
| 35074 |  NSI CHEMBL376627 ZINC000001911737 |
2 | C30 H23 F3 N2 O4 S | InChI=1S/C30H23F3N2O4S/c1 -39-23-16-14-21(15-17-23) 27-25-12-5-6-13-26(25)35( 19-20-8-7-9-22(18-20)30(3 1,32)33)28(27)29(36)34-40 (37,38)24-10-3-2-4-11-24/ h2-18H,19H2,1H3,(H,34,36); BCPFCXDCWUXOGT-UHFFFAOYSA-N |
COc1ccc(cc1)c2c3ccccc3n(Cc4cccc(c4)C(F)( F)F)c2C(=O)N[S](=O)(=O)c5ccccc5; O=S(=O) (c1ccccc1)NC(=O)c3c(c2ccccc2n3Cc4cccc(c4 )C(F)(F)F)c5ccc(OC)cc5; COc1ccc(cc1)c2c3 ccccc3n(c2C(=O)NS(=O)(=O)c4ccccc4)Cc5ccc c(c5)C(F)(F)F |
3-(4-METHOXYPHENYL)-N-(PHENYLSULFONYL)-1-[3-(TRIFLUOROMETHYL)BENZYL]-1H-INDOLE-2-CARBOXAMIDE |
| 35075 |  NSJ ZINC000000237165 |
4 | C11 H15 N O S | InChI=1S/C11H15NOS/c13-11 -3-1-2-10(8-11)9-12-4-6-1 4-7-5-12/h1-3,8,13H,4-7,9 H2; NSDQSEGFFDPDRA-UHFFFAOYSA-N |
Oc1cccc(CN2CCSCC2)c1; c1cc(cc(c1)O)CN2CC SCC2; N1(CCSCC1)Cc2cccc(c2)O |
3-[(thiomorpholin-4-yl)methyl]phenol |
| 35076 |  NSK ZINC000016052354 |
1 | C10 H18 N2 O5 | InChI=1S/C10H18N2O5/c11-6 -2-1-3-7(10(16)17)12-8(13 )4-5-9(14)15/h7H,1-6,11H2 ,(H,12,13)(H,14,15)(H,16, 17)/t7-/m0/s1; XEOGRHZGJFTETQ-ZETCQYMHSA-N |
NCCCC[C@H](NC(=O)CCC(O)=O)C(O)=O; O=C(NC (C(=O)O)CCCCN)CCC(=O)O; NCCCC[CH](NC(=O) CCC(O)=O)C(O)=O; C(CCN)CC(C(=O)O)NC(=O)C CC(=O)O; C(CCN)C[C@@H](C(=O)O)NC(=O)CCC( =O)O |
N-SUCCINYL LYSINE; N~2~-(3-CARBOXYPROPANOYL)-L-LYSINE |
| 35077 |  NSL CHEMBL79759 ZINC000100010406 |
2 | C12 H10 N2 O | InChI=1S/C12H10N2O/c15-12 -8-6-11(7-9-12)14-13-10-4 -2-1-3-5-10/h1-9,15H/b14- 13+; BEYOBVMPDRKTNR-BUHFOSPRSA-N |
c1ccc(cc1)/N=N/c2ccc(cc2)O; c1ccc(cc1)N= Nc2ccc(cc2)O; c1ccc(cc1)\N=N\c2ccc(O)cc2 ; Oc1ccc(cc1)N=Nc2ccccc2 |
4-Hydroxyazobenzene; 4-[(E)-phenyldiazenyl]phenol |
| 35078 |  NSM |
8 | C H3 N O | InChI=1S/CH3NO/c1-2-3/h1H 3; IMHRONYAKYWGCC-UHFFFAOYSA-N |
CN=O; O=NC | NITROSOMETHANE |
| 35079 |  NSN ZINC000058638732 |
1 | C7 H11 N3 O4 | InChI=1S/C7H11N3O4/c1-3(6 (8)13)10-4(7(9)14)2-5(11) 12/h4H,2H2,1H3,(H2,8,13)( H2,9,14)(H,11,12)/b10-3+/ t4-/m0/s1; YZKQNDLOQTXCHV-BNTYAIEMSA-N |
CC(=[NH+][CH](CC([O-])=O)C(N)=O)C(N)=O; [O-]C(=O)CC(/[NH+]=C(/C(=O)N)C)C(=O)N; C C(=[NH+]C(CC(=O)[O-])C(=O)N)C(=O)N; CC(= [NH+][C@@H](CC([O-])=O)C(N)=O)C(N)=O; CC (=[NH+][C@@H](CC(=O)[O-])C(=O)N)C(=O)N |
N~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDENE)ASPARAGINATE |
| 35080 |  NSO CHEMBL5404639 |
1 | C28 H28 F N7 O | InChI=1S/C28H28FN7O/c1-3- 26(37)30-21-5-4-6-22(18-2 1)31-27-24-17-19(29)7-12- 25(24)33-28(34-27)32-20-8 -10-23(11-9-20)36-15-13-3 5(2)14-16-36/h3-12,17-18H ,1,13-16H2,2H3,(H,30,37)( H2,31,32,33,34); KDWNVZXLHSMELQ-UHFFFAOYSA-N |
CN1CCN(CC1)c2ccc(cc2)Nc3nc4ccc(cc4c(n3)N c5cccc(c5)NC(=O)C=C)F; CN1CCN(CC1)c2ccc( Nc3nc(Nc4cccc(NC(=O)C=C)c4)c5cc(F)ccc5n3 )cc2 |
~{N}-[3-[[6-fluoranyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]quinazolin-4-yl]amino]phenyl]prop-2-enamide |
| 35081 |  NSP DB03204 ZINC000000336542 |
0 | C6 H10 N4 | InChI=1S/C6H10N4/c1-4-9-3 -5(2-7)6(8)10-4/h3H,2,7H2 ,1H3,(H2,8,9,10); OZOHTVFCSKFMLL-UHFFFAOYSA-N |
n1c(N)c(cnc1C)CN; Cc1ncc(c(n1)N)CN; Cc1n cc(CN)c(N)n1 |
5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE |
| 35082 |  NSQ ZINC000263620619 |
10 | C12 H15 N O10 S | InChI=1S/C12H15NO10S/c14- 9-8(5-24(19,20)21)23-12(1 1(16)10(9)15)22-7-3-1-6(2 -4-7)13(17)18/h1-4,8-12,1 4-16H,5H2,(H,19,20,21)/t8 -,9-,10+,11-,12+/m1/s1; JRVQBBIDMNDOQV-ZIQFBCGOSA-N |
c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@ H]([C@@H]([C@H](O2)CS(=O)(=O)O)O)O)O; O[ C@H]1[C@H](O)[C@@H](C[S](O)(=O)=O)O[C@H] (Oc2ccc(cc2)[N+]([O-])=O)[C@@H]1O; c1cc( ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CS(=O)(=O )O)O)O)O; O[CH]1[CH](O)[CH](C[S](O)(=O)= O)O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH]1O |
4-nitrophenyl alpha-D-6-sulfoquinovoside; 4-NITROPHENYL-ALPHA-D-SULFOQUINOVOSIDE |
| 35083 |  NSR |
2 | C19 H15 Cl N2 O2 | InChI=1S/C19H15ClN2O2/c20 -13-5-6-18-16(9-13)15(7-8 -24-18)19(23)22-17-11-21- 10-12-3-1-2-4-14(12)17/h1 -6,9-11,15H,7-8H2,(H,22,2 3)/t15-/m1/s1; QRUNNMAOPKEFMJ-OAHLLOKOSA-N |
Clc1ccc2OCCC(c2c1)C(=O)Nc1cncc2ccccc21; c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)Cl ; c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc (cc4)Cl; Clc1ccc2OCC[C@@H](C(=O)Nc3cncc4 ccccc34)c2c1; Clc1ccc2OCC[CH](C(=O)Nc3cn cc4ccccc34)c2c1 |
(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide |
| 35084 |  NSS |
8 | C14 H21 N8 O8 S | InChI=1S/C14H20N8O8S/c15- 5(1-7(16)23)13(26)21-31(2 7,28)29-2-6-9(24)10(25)14 (30-6)22-4-20-8-11(17)18- 3-19-12(8)22/h3-6,9-10,14 ,24-25H,1-2,15H2,(H2,16,2 3)(H,21,26)(H2,17,18,19)/ p+1/t5-,6+,9+,10+,14+/m0/ s1; MOAVDHSPHZUJSX-UFIIOMENSA-O |
O=C(N)CC(C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(n cnc12)N)C(O)C3O)[NH3+]; NC(=O)C[CH]([NH3 +])C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O) [CH]1O)n2cnc3c(N)ncnc23; c1nc(c2c(n1)n(c n2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)( =O)NC(=O)[C@H](CC(=O)N)[NH3+])O)O)N; NC( =O)C[C@H]([NH3+])C(=O)N[S](=O)(=O)OC[C@H ]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc 23; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O) (=O)NC(=O)C(CC(=O)N)[NH3+])O)O)N |
5'-O-[N-(L-ASPARAGINYL)SULFAMOYL]ADENOSINE; ASN-SA |
| 35085 |  NST DB08306 ZINC000003881295 |
1 | C11 H8 N2 O6 S2 | InChI=1S/C11H8N2O6S2/c14- 11(15)10-9(4-5-20-10)21(1 8,19)12-7-2-1-3-8(6-7)13( 16)17/h1-6,12H,(H,14,15); CITCNTPVKZFUAJ-UHFFFAOYSA-N |
c1cc(cc(c1)[N+](=O)[O-])NS(=O)(=O)c2ccsc 2C(=O)O; OC(=O)c1sccc1[S](=O)(=O)Nc2cccc (c2)[N+]([O-])=O; O=C(O)c1sccc1S(=O)(=O) Nc2cccc([N+]([O-])=O)c2 |
3-{[(3-NITROANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID |
| 35086 |  NSU |
0 | C13 H18 N4 O6 | InChI=1S/C13H18N4O6/c1-7- 2-16(13(22)15-12(7)21)3-1 0(18)17(4-11(19)20)9-6-23 -5-8(9)14/h2,8-9H,3-6,14H 2,1H3,(H,19,20)(H,15,21,2 2)/t8-,9-/m0/s1; VRGRCASITUVCPS-IUCAKERBSA-N |
CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)[C@H]2 COC[C@@H]2N; OC(=O)CN(C1COCC1N)C(=O)CN1C =C(C)C(=O)NC1=O; CC1=CN(C(=O)NC1=O)CC(=O )N(CC(=O)O)C2COCC2N; CC1=CN(CC(=O)N(CC(O )=O)[C@H]2COC[C@@H]2N)C(=O)NC1=O; CC1=CN (CC(=O)N(CC(O)=O)[CH]2COC[CH]2N)C(=O)NC1 =O |
N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine |
| 35087 |  NSV ZINC000049533897 |
1 | C9 H15 N3 S | InChI=1S/C9H15N3S/c1-8-11 -6-9(13-8)7-12-4-2-10-3-5 -12/h6,10H,2-5,7H2,1H3; JBVOQOLBRWVANK-UHFFFAOYSA-N |
Cc1ncc(s1)CN2CCNCC2; n2cc(CN1CCNCC1)sc2C ; Cc1sc(CN2CCNCC2)cn1 |
1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine |
| 35088 |  NSW |
6 | C25 H21 N4 O3 | InChI=1S/C25H20N4O3/c30-2 0-10-6-18(7-11-20)15-29-2 5(32)28-16-23(19-8-12-21( 31)13-9-19)26-22(24(28)27 -29)14-17-4-2-1-3-5-17/h1 -13,16,30-31H,14-15H2/p+1; FAFQJYQLYIUGAT-UHFFFAOYSA-O |
Oc1ccc(CN2Nc3c(Cc4ccccc4)nc(c[n+]3C2=O)c 5ccc(O)cc5)cc1; c1ccc(cc1)Cc2c3[n+](cc(n 2)c4ccc(cc4)O)C(=O)N(N3)Cc5ccc(cc5)O |
3-(4-hydroxyphenyl)-8-[(4-hydroxyphenyl)methyl]-5-(phenylmethyl)-1$l^{4},4,7,8-tetrazabicyclo[4.3.0]nona-1(6),2,4-trien-9-one |
| 35089 |  NSX ZINC000150344818 |
6 | C57 H64 N8 O6 | InChI=1S/C57H64N8O6/c58-5 7(59)62-35-12-20-50(56(71 )65-51(37-41-25-31-48(66) 32-26-41)54(69)61-36-33-4 0-13-4-1-5-14-40)64-55(70 )49(63-53(68)39-43-23-29- 47(30-24-43)45-17-8-3-9-1 8-45)19-10-11-34-60-52(67 )38-42-21-27-46(28-22-42) 44-15-6-2-7-16-44/h1-9,13 -18,21-32,49-51,66H,10-12 ,19-20,33-39H2,(H,60,67)( H,61,69)(H,63,68)(H,64,70 )(H,65,71)(H4,58,59,62)/t 49-,50+,51-/m0/s1; IFVMSTPAHOWZAK-HLRAQNEOSA-N |
O=C(NCCCCC(NC(=O)Cc2ccc(c1ccccc1)cc2)C(= O)NC(C(=O)NC(C(=O)NCCc3ccccc3)Cc4ccc(O)c c4)CCCNC(=[N@H])N)Cc6ccc(c5ccccc5)cc6; N C(=N)NCCC[C@@H](NC(=O)[C@H](CCCCNC(=O)Cc 1ccc(cc1)c2ccccc2)NC(=O)Cc3ccc(cc3)c4ccc cc4)C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)NCCc6 ccccc6; c1ccc(cc1)CCNC(=O)C(Cc2ccc(cc2)O )NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCNC(=O)Cc 3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc5)c6ccc cc6; [H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H]( Cc1ccc(cc1)O)C(=O)NCCc2ccccc2)NC(=O)[C@H ](CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc 5ccc(cc5)c6ccccc6; NC(=N)NCCC[CH](NC(=O) [CH](CCCCNC(=O)Cc1ccc(cc1)c2ccccc2)NC(=O )Cc3ccc(cc3)c4ccccc4)C(=O)N[CH](Cc5ccc(O )cc5)C(=O)NCCc6ccccc6 |
N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-tyrosinamide |
| 35090 |  NSY ZINC000150344820 |
12 | C57 H64 N8 O5 | InChI=1S/C57H64N8O5/c58-5 7(59)62-36-15-25-50(56(70 )65-51(38-42-18-7-2-8-19- 42)54(68)61-37-34-41-16-5 -1-6-17-41)64-55(69)49(63 -53(67)40-44-28-32-48(33- 29-44)46-22-11-4-12-23-46 )24-13-14-35-60-52(66)39- 43-26-30-47(31-27-43)45-2 0-9-3-10-21-45/h1-12,16-2 3,26-33,49-51H,13-15,24-2 5,34-40H2,(H,60,66)(H,61, 68)(H,63,67)(H,64,69)(H,6 5,70)(H4,58,59,62)/t49-,5 0+,51-/m0/s1; YLNSEFZQVOPLSQ-HLRAQNEOSA-N |
NC(=N)NCCC[C@@H](NC(=O)[C@H](CCCCNC(=O)C c1ccc(cc1)c2ccccc2)NC(=O)Cc3ccc(cc3)c4cc ccc4)C(=O)N[C@@H](Cc5ccccc5)C(=O)NCCc6cc ccc6; [H]/N=C(\N)/NCCC[C@H](C(=O)N[C@@H] (Cc1ccccc1)C(=O)NCCc2ccccc2)NC(=O)[C@H]( CCCCNC(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5c cc(cc5)c6ccccc6; NC(=N)NCCC[CH](NC(=O)[C H](CCCCNC(=O)Cc1ccc(cc1)c2ccccc2)NC(=O)C c3ccc(cc3)c4ccccc4)C(=O)N[CH](Cc5ccccc5) C(=O)NCCc6ccccc6; c1ccc(cc1)CCNC(=O)C(Cc 2ccccc2)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN C(=O)Cc3ccc(cc3)c4ccccc4)NC(=O)Cc5ccc(cc 5)c6ccccc6; O=C(NCCCCC(NC(=O)Cc2ccc(c1cc ccc1)cc2)C(=O)NC(C(=O)NC(C(=O)NCCc3ccccc 3)Cc4ccccc4)CCCNC(=[N@H])N)Cc6ccc(c5cccc c5)cc6 |
N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide |
| 35091 |  NSZ ZINC000058638412 |
2 | C41 H49 N7 O4 S | InChI=1S/C41H49N7O4S/c1-5 3-28-36(46-37(49)27-31-19 -21-33(22-20-31)32-16-9-4 -10-17-32)40(52)47-34(18- 11-24-45-41(42)43)39(51)4 8-35(26-30-14-7-3-8-15-30 )38(50)44-25-23-29-12-5-2 -6-13-29/h2-10,12-17,19-2 2,34-36H,11,18,23-28H2,1H 3,(H,44,50)(H,46,49)(H,47 ,52)(H,48,51)(H4,42,43,45 )/t34-,35+,36+/m1/s1; UYRQVAFRIYOHSH-SBPNQFBHSA-N |
CSC[C@H](NC(=O)Cc1ccc(cc1)c2ccccc2)C(=O) N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc3ccccc3 )C(=O)NCCc4ccccc4; [H]/N=C(/N)\NCCCC(C(= O)N[C@@H](Cc1ccccc1)C(=O)NCCc2ccccc2)NC( =O)C(CSC)NC(=O)Cc3ccc(cc3)c4ccccc4; CSCC (C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C( =O)NCCc2ccccc2)NC(=O)Cc3ccc(cc3)c4ccccc4 ; CSC[CH](NC(=O)Cc1ccc(cc1)c2ccccc2)C(=O )N[CH](CCCNC(N)=N)C(=O)N[CH](Cc3ccccc3)C (=O)NCCc4ccccc4; O=C(NC(C(=O)NC(C(=O)NC( C(=O)NCCc1ccccc1)Cc2ccccc2)CCCNC(=[N@H]) N)CSC)Cc4ccc(c3ccccc3)cc4 |
N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide |
| 35092 |  NT CHEMBL307767 ZINC000004403891 |
0 | C18 H26 N10 O3 | InChI=1S/C18H26N10O3/c1-2 7-9-11(6-12(27)16(30)23-4 -3-14(19)20)26-17(31)13-5 -10(8-28(13)2)25-15(29)7- 24-18(21)22/h5-6,8-9H,3-4 ,7H2,1-2H3,(H3,19,20)(H,2 3,30)(H,25,29)(H,26,31)(H 4,21,22,24); IDBIFFKSXLYUOT-UHFFFAOYSA-N |
Cn1cc(cc1C(=O)Nc2cc(n(c2)C)C(=O)NCCC(=N) N)NC(=O)CNC(=N)N; O=C(Nc1cc(C(=O)NCCC(=[ N@H])N)n(c1)C)c2cc(NC(=O)CNC(=[N@H])N)cn 2C; Cn1cc(NC(=O)c2cc(NC(=O)CNC(N)=N)cn2C )cc1C(=O)NCCC(N)=N |
NETROPSIN |
| 35093 |  NT0 |
2 | C23 H19 N3 O2 | InChI=1S/C23H19N3O2/c27-2 2(15-19-12-7-13-28-19)26- 23-20(14-17-8-3-1-4-9-17) 25-21(16-24-23)18-10-5-2- 6-11-18/h1-13,16H,14-15H2 ,(H,24,26,27); SGNAEEQPPHGYPX-UHFFFAOYSA-N |
O=C(Cc1occc1)Nc2ncc(nc2Cc3ccccc3)c4ccccc 4; c1ccc(cc1)Cc2c(ncc(n2)c3ccccc3)NC(=O) Cc4ccco4 |
N-(3-Benzyl-5-phenylpyrazin-2-yl)-2-(furan-2-yl)acetamide; 2-(furan-2-yl)-~{N}-[5-phenyl-3-(phenylmethyl)pyrazin-2-yl]ethanamide |
| 35094 |  NT1 |
0 | C55 H98 O54 S6 | InChI=1S/C55H98O54S6/c1-7 8-15-21-14-22(80-3)33(82- 5)50(95-21)100-30-24(16-7 9-2)96-51(43(87-10)34(30) 83-6)101-31-25(19-93-111( 63,64)65)97-52(44(88-11)3 5(31)84-7)103-38-36(85-8) 46(90-13)54(106-41(38)48( 56)57)102-32-26(20-94-112 (66,67)68)98-55(47(109-11 5(75,76)77)40(32)108-114( 72,73)74)104-39-37(86-9)4 5(89-12)53(105-42(39)49(5 8)59)99-29-23(18-92-110(6 0,61)62)91-17-27(28(29)81 -4)107-113(69,70)71/h21-5 9H,14-20H2,1-13H3,(H,60,6 1,62)(H,63,64,65)(H,66,67 ,68)(H,69,70,71)(H,72,73, 74)(H,75,76,77)/t21-,22-, 23+,24+,25+,26+,27-,28+,2 9+,30+,31+,32+,33+,34-,35 -,36-,37-,38-,39-,40-,41- ,42+,43+,44+,45+,46+,47+, 50?,51-,52+,53+,54+,55+/m 0/s1; QNKPWFIPDVKGET-ARQCQYMKSA-N |
COC[CH]1C[CH](OC)[CH](OC)[CH](O1)O[CH]2[ CH](COC)O[CH](O[CH]3[CH](CO[S](O)(=O)=O) O[CH](O[CH]4[CH](OC)[CH](OC)[CH](O[CH]4C (O)O)O[CH]5[CH](CO[S](O)(=O)=O)O[CH](O[C H]6[CH](OC)[CH](OC)[CH](O[CH]6C(O)O)O[CH ]7[CH](CO[S](O)(=O)=O)OC[CH](O[S](O)(=O) =O)[CH]7OC)[CH](O[S](O)(=O)=O)[CH]5O[S]( O)(=O)=O)[CH](OC)[CH]3OC)[CH](OC)[CH]2OC ; COC[C@@H]1C[C@H](OC)[C@@H](OC)[C@H](O1 )O[C@@H]2[C@@H](COC)O[C@@H](O[C@@H]3[C@@ H](CO[S](O)(=O)=O)O[C@H](O[C@H]4[C@H](OC )[C@@H](OC)[C@@H](O[C@@H]4C(O)O)O[C@@H]5 [C@@H](CO[S](O)(=O)=O)O[C@H](O[C@H]6[C@H ](OC)[C@@H](OC)[C@@H](O[C@H]6C(O)O)O[C@@ H]7[C@@H](CO[S](O)(=O)=O)OC[C@H](O[S](O) (=O)=O)[C@H]7OC)[C@H](O[S](O)(=O)=O)[C@H ]5O[S](O)(=O)=O)[C@H](OC)[C@H]3OC)[C@H]( OC)[C@H]2OC; COCC1CC(C(C(O1)OC2C(OC(C(C2 OC)OC)OC3C(OC(C(C3OC)OC)OC4C(C(C(OC4C(O) O)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O)O)OC 6C(C(C(OC6C(O)O)OC7C(OCC(C7OC)OS(=O)(=O) O)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)OC)OC) COS(=O)(=O)O)COC)OC)OC; O=S(=O)(OCC7OCC( OS(=O)(=O)O)C(OC)C7OC6OC(C(O)O)C(OC5OC(C (OC4OC(C(OC3OC(COS(=O)(=O)O)C(OC2OC(COC) C(OC1OC(CC(OC)C1OC)COC)C(OC)C2OC)C(OC)C3 OC)C(OC)C4OC)C(O)O)C(OS(=O)(=O)O)C5OS(=O )(=O)O)COS(=O)(=O)O)C(OC)C6OC)O; COC[C@@ H]1C[C@@H]([C@H](C(O1)O[C@@H]2[C@H](O[C@ H]([C@@H]([C@H]2OC)OC)O[C@@H]3[C@H](O[C@ @H]([C@@H]([C@H]3OC)OC)O[C@H]4[C@@H]([C@ H]([C@@H](O[C@@H]4C(O)O)O[C@@H]5[C@H](O[ C@@H]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O )O)O[C@H]6[C@@H]([C@H]([C@@H](O[C@H]6C(O )O)O[C@@H]7[C@H](OC[C@@H]([C@H]7OC)OS(=O )(=O)O)COS(=O)(=O)O)OC)OC)COS(=O)(=O)O)O C)OC)COS(=O)(=O)O)COC)OC)OC |
HEPARIN HEPTASACCHARIDE |
| 35095 |  NT2 |
0 | C6 H12 O18 S4 | InChI=1S/C6H12O18S4/c7-6- 5(24-28(17,18)19)4(23-27( 14,15)16)3(22-26(11,12)13 )2(21-6)1-20-25(8,9)10/h2 -7H,1H2,(H,8,9,10)(H,11,1 2,13)(H,14,15,16)(H,17,18 ,19)/t2-,3-,4+,5-,6+/m1/s 1; SPIXVQOXHJQNTH-DVKNGEFBSA-N |
C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O )OS(=O)(=O)O)OS(=O)(=O)O; C([C@@H]1[C@H] ([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS( =O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O; O=S(=O )(O)OCC1OC(O)C(OS(=O)(=O)O)C(OS(=O)(=O)O )C1OS(=O)(=O)O; O[CH]1O[CH](CO[S](O)(=O) =O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O )[CH]1O[S](O)(=O)=O; O[C@H]1O[C@H](CO[S] (O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@H](O[S ](O)(=O)=O)[C@H]1O[S](O)(=O)=O |
2,3,4,6-TETRA-O-SULFOHEXOPYRANOSE |
| 35096 |  NT3 |
4 | C5 H Fe N6 O | InChI=1S/5CN.Fe.HNO/c5*1- 2;;1-2/h;;;;;;2H/q5*-1;+2 ;/p+1; FXHPAMQNLMZRAK-UHFFFAOYSA-O |
[Fe++].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]# N.N#[OH+]; [C-](#N)[Fe+2]([C-]#N)([C-]#N )([C-]#N)([C-]#N)[N]#[OH+] |
Nitroprusside ion |
| 35097 |  NT4 CHEMBL3289023 |
1 | C27 H30 N6 O3 | InChI=1S/C27H30N6O3/c28-1 9-5-7-20(8-6-19)33-27(34) 18-13-23(35-21-9-1-16(2-1 0-21)25(29)30)15-24(14-18 )36-22-11-3-17(4-12-22)26 (31)32/h1-4,9-15,19-20H,5 -8,28H2,(H3,29,30)(H3,31, 32)(H,33,34)/t19-,20-; PCTUHSSCHRLPLB-MXVIHJGJSA-N |
[H]/N=C(\N)/c1ccc(cc1)Oc2cc(cc(c2)C(=O)N C3CCC(CC3)N)Oc4ccc(cc4)/C(=N/[H])/N; c1c c(ccc1C(=N)N)Oc2cc(cc(c2)Oc3ccc(cc3)C(=N )N)C(=O)NC4CCC(CC4)N; N[C@H]1CC[C@@H](CC 1)NC(=O)c2cc(Oc3ccc(cc3)C(N)=N)cc(Oc4ccc (cc4)C(N)=N)c2; O=C(NC1CCC(N)CC1)c4cc(Oc 2ccc(C(=[N@H])N)cc2)cc(Oc3ccc(C(=[N@H])N )cc3)c4; N[CH]1CC[CH](CC1)NC(=O)c2cc(Oc3 ccc(cc3)C(N)=N)cc(Oc4ccc(cc4)C(N)=N)c2 |
N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide |
| 35098 |  NT5 CHEMBL2107822 DB12158 ZINC000043201232 |
2 | C24 H25 F N4 O2 | InChI=1S/C24H25FN4O2/c1-1 6-4-8-20(23-26-10-3-11-27 -23)21(12-16)24(30)29-14- 18(6-5-17(29)2)15-31-22-9 -7-19(25)13-28-22/h3-4,7- 13,17-18H,5-6,14-15H2,1-2 H3/t17-,18-/m1/s1; NPFDWHQSDBWQLH-QZTJIDSGSA-N |
C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c 3cc(C)ccc3c4ncccn4; Cc1ccc(c(c1)C(=O)N2C [C@@H](CC[C@H]2C)COc3ccc(cn3)F)c4ncccn4; C[CH]1CC[CH](COc2ccc(F)cn2)CN1C(=O)c3cc (C)ccc3c4ncccn4; Cc1ccc(c(c1)C(=O)N2CC(C CC2C)COc3ccc(cn3)F)c4ncccn4 |
[(2~{R},5~{R})-5-[(5-fluoranylpyridin-2-yl)oxymethyl]-2-methyl-piperidin-1-yl]-(5-methyl-2-pyrimidin-2-yl-phenyl)methanone |
| 35099 |  NT6 |
6 | C16 H18 Cl2 N2 O | InChI=1S/C16H18Cl2N2O/c17 -12-4-14(19-8-13(12)18)20 -15(21)16-5-9-1-10(6-16)3 -11(2-9)7-16/h4,8-11H,1-3 ,5-7H2,(H,19,20,21)/t9-,1 0+,11-,16-; RBBBMHRIAFVEFR-XMEMTASGSA-N |
Clc1cnc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl ; c1c(c(cnc1NC(=O)C23CC4CC(C2)CC(C4)C3)C l)Cl; O=C(Nc1cc(Cl)c(Cl)cn1)C12CC3CC(CC( C3)C1)C2 |
(3s,5s,7s)-N-(4,5-dichloropyridin-2-yl)adamantane-1-carboxamide |
| 35100 |  NT7 CHEMBL1605695 ZINC000019235648 |
5 | C14 H20 N2 O2 | InChI=1S/C14H20N2O2/c1-11 -4-3-5-13(12(11)2)15-14(1 7)10-16-6-8-18-9-7-16/h3- 5H,6-10H2,1-2H3,(H,15,17); PPTFUQPLPCCALB-UHFFFAOYSA-N |
Cc1cccc(NC(=O)CN2CCOCC2)c1C; N(C(=O)CN1C COCC1)c2cccc(c2C)C; Cc1cccc(c1C)NC(=O)CN 2CCOCC2 |
N-(2,3-dimethylphenyl)-2-(morpholin-4-yl)acetamide |
| 35101 |  NT8 CHEMBL5288063 ZINC000100166436 |
2 | C10 H25 N O6 P2 | InChI=1S/C10H25NO6P2/c1-2 -3-4-5-6-7-8-9-10(11,18(1 2,13)14)19(15,16)17/h2-9, 11H2,1H3,(H2,12,13,14)(H2 ,15,16,17); TWYYYYAFACTHMV-UHFFFAOYSA-N |
CCCCCCCCCC(N)(P(=O)(O)O)P(=O)(O)O; CCCCC CCCCC(N)([P](O)(O)=O)[P](O)(O)=O |
(1-azanyl-1-phosphono-decyl)phosphonic acid |
| 35102 |  NT9 ZINC000004200648 |
3 | C12 H13 N S | InChI=1S/C12H13NS/c1-13-9 -10-4-6-11(7-5-10)12-3-2- 8-14-12/h2-8,13H,9H2,1H3; DRDAOZOONYPMPX-UHFFFAOYSA-N |
CNCc1ccc(cc1)c2cccs2; CNCc1ccc(cc1)c2scc c2 |
~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine |
| 35103 |  NTA CHEMBL1234848 DB03040 ZINC000001849692 |
30 | C6 H9 N O6 | InChI=1S/C6H9NO6/c8-4(9)1 -7(2-5(10)11)3-6(12)13/h1 -3H2,(H,8,9)(H,10,11)(H,1 2,13); MGFYIUFZLHCRTH-UHFFFAOYSA-N |
C(C(=O)O)N(CC(=O)O)CC(=O)O; O=C(O)CN(CC( =O)O)CC(=O)O; OC(=O)CN(CC(O)=O)CC(O)=O |
NITRILOTRIACETIC ACID |
| 35104 |  NTB CHEMBL13782 ZINC000004789979 |
0 | C4 H11 N | InChI=1S/C4H11N/c1-4(2,3) 5/h5H2,1-3H3; YBRBMKDOPFTVDT-UHFFFAOYSA-N |
NC(C)(C)C; CC(C)(C)N | TERTIARY-BUTYLAMINE |
| 35105 |  NTC |
1 | C5 H7 N O7 | InChI=1S/C5H7NO7/c7-3(8)1 -5(11,4(9)10)2-6(12)13/h1 1H,1-2H2,(H,7,8)(H,9,10)/ t5-/m1/s1; MTIGFRIXIPBOPZ-RXMQYKEDSA-N |
OC(=O)C[C@@](O)(C[N+]([O-])=O)C(O)=O; C( C(=O)O)C(C[N+](=O)[O-])(C(=O)O)O; OC(=O) C[C](O)(C[N+]([O-])=O)C(O)=O; O=C(O)CC(O )(C(=O)O)C[N+](=O)[O-]; C(C(=O)O)[C@@](C [N+](=O)[O-])(C(=O)O)O |
2-HYDROXY-2-NITROMETHYL SUCCINIC ACID |
| 35106 |  NTD CHEMBL23996 DB08307 ZINC000013473744 |
13 | C14 H10 F3 N O5 | InChI=1S/C14H10F3NO5/c15- 14(16,17)7-4-5-8(9(6-7)18 (22)23)13(21)12-10(19)2-1 -3-11(12)20/h4-6,21H,1-3H 2; PMHVFNYNPNKNRO-UHFFFAOYSA-N |
c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])C(=C2C(= O)CCCC2=O)O; O=C2C(=C(\O)c1ccc(cc1[N+]([ O-])=O)C(F)(F)F)\C(=O)CCC2; OC(c1ccc(cc1 [N+]([O-])=O)C(F)(F)F)=C2C(=O)CCCC2=O |
2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE |
| 35107 |  NTE |
4 | C34 H31 Fe N5 O6 | InChI=1S/C34H33N5O6.Fe/c1 -6-21-17(2)27-15-30-24(11 -12-39(44)45)20(5)26(36-3 0)13-25-18(3)22(7-9-33(40 )41)31(37-25)16-32-23(8-1 0-34(42)43)19(4)28(38-32) 14-29(21)35-27;/h6,11-16H ,1,7-10H2,2-5H3,(H4,35,36 ,37,38,40,41,42,43);/q;+2 /p-2/b12-11+,25-13-,26-13 -,27-15-,28-14-,29-14-,30 -15-,31-16-,32-16-;; MBEUICWDKPMPCN-RXJYIKGQSA-L |
CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7 n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8\C =C\[N+]([O-])=O)C)c(C)c7C=C; CC1=C(CCC(O )=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N| 6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C[N+]([O-]) =O)C)c(C)c7C=C; Cc1c2n3c(c1CCC(=O)O)C=C4 C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(= C8C)C=C)C(=C(C7=C2)C)/C=C/[N+](=O)[O-])C )CCC(=O)O; N45[Fe]26n1c8c(c(c1C=C3N2=C(C (=C3C)\C=C\[N+]([O-])=O)C=C4C(=C(C5=CC7= N6C(C(=C7C)CCC(=O)O)=C8)\C=C)C)C)CCC(O)= O; Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[ Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C( C7=C2)C)C=C[N+](=O)[O-])C)CCC(=O)O |
[3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(E)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}dipro panoato(2-)]iron; Nitriheme |
| 35108 |  NTF CHEMBL1234850 ZINC000013863726 |
1 | C8 H12 F3 N O6 | InChI=1S/C8H12F3NO6/c9-8( 10,11)7(17)12-6-5(16)4(15 )3(14)2(1-13)18-6/h2-6,13 -16H,1H2,(H,12,17)/t2-,3- ,4+,5-,6-/m1/s1; XMUBEPVSEUVEBW-VFUOTHLCSA-N |
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NC (=O)C(F)(F)F)O)O)O)O; OC[C@H]1O[C@@H](NC (=O)C(F)(F)F)[C@H](O)[C@@H](O)[C@@H]1O; C(C1C(C(C(C(O1)NC(=O)C(F)(F)F)O)O)O)O; O C[CH]1O[CH](NC(=O)C(F)(F)F)[CH](O)[CH](O )[CH]1O; O=C(NC1OC(C(O)C(O)C1O)CO)C(F)(F )F |
N-(trifluoroacetyl)-beta-D-glucopyranosylamine; N-TRIFLURO-ACETYL-BETA-D-GLUCOPYRANOSYLAMINE; N-(trifluoroacetyl)-beta-D-glucosylamine; N-(trifluoroacetyl)-D-glucosylamine; N-(trifluoroacetyl)-glucosylamine |
| 35109 |  NTG CHEMBL4901185 ZINC000097227385 |
6 | C11 H13 N3 O | InChI=1S/C11H13N3O/c12-8- 10-2-3-11(9-13-10)14-4-1- 6-15-7-5-14/h2-3,9H,1,4-7 H2; QPJKHSFVBDONPD-UHFFFAOYSA-N |
c1cc(ncc1N2CCCOCC2)C#N; N#Cc1ccc(cn1)N2C CCOCC2; N#Cc2ncc(N1CCCOCC1)cc2 |
5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile |
| 35110 |  NTH DB08308 ZINC000033821445 |
2 | C22 H30 O5 | InChI=1S/C22H30O5/c1-22-1 1-10-16-15-5-3-14(23)12-1 3(15)2-4-17(16)18(22)6-7- 19(22)27-21(26)9-8-20(24) 25/h12,15-19H,2-11H2,1H3, (H,24,25)/t15-,16+,17+,18 -,19+,22-/m0/s1; IRQUJNVGEAJGSD-KIEDKLRZSA-N |
O=C(O)CCC(=O)OC2CCC1C4C(CCC12C)C3C(=CC(= O)CC3)CC4; C[C@]12CC[C@H]3[C@@H](CCC4=CC (=O)CC[C@H]34)[C@@H]1CC[C@H]2OC(=O)CCC(O )=O; C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH] 34)[CH]1CC[CH]2OC(=O)CCC(O)=O; CC12CCC3C (C1CCC2OC(=O)CCC(=O)O)CCC4=CC(=O)CCC34; C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2OC(= O)CCC(=O)O)CCC4=CC(=O)CC[C@H]34 |
SUCCINIC ACID MONO-(13-METHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL) ESTER |
| 35111 |  NTI CHEMBL1401 DB00507 ZINC000003956788 |
1 | C12 H9 N3 O5 S | InChI=1S/C12H9N3O5S/c1-7( 16)20-9-5-3-2-4-8(9)11(17 )14-12-13-6-10(21-12)15(1 8)19/h2-6H,1H3,(H,13,14,1 7); YQNQNVDNTFHQSW-UHFFFAOYSA-N |
CC(=O)Oc1ccccc1C(=O)Nc2ncc(s2)[N+](=O)[O -]; CC(=O)Oc1ccccc1C(=O)Nc2sc(cn2)[N+]([ O-])=O; O=C(Nc1ncc(s1)[N+]([O-])=O)c2ccc cc2OC(=O)C |
2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate |
| 35112 |  NTJ ZINC000038424911 |
10 | C4 H12 N O2 P | InChI=1S/C4H12NO2P/c1-4-7 -8(6)5(2)3/h8H,4H2,1-3H3; VJBIKDDUGQICEU-UHFFFAOYSA-N |
CCOP(=O)N(C)C; O=P(OCC)N(C)C; CCO[P@H](= O)N(C)C; CCO[PH](=O)N(C)C |
R-ETHYL N,N-DIMETHYLPHOSPHONAMIDATE |
| 35113 |  NTK CHEMBL118722 DB12709 ZINC000003860906 |
3 | C15 H26 O6 | InChI=1S/C15H26O6/c1-4-7- 13(16)19-10-12(21-15(18)9 -6-3)11-20-14(17)8-5-2/h1 2H,4-11H2,1-3H3; UYXTWWCETRIEDR-UHFFFAOYSA-N |
CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC | 2,3-di(butanoyloxy)propyl butanoate |
| 35114 |  NTL |
2 | C23 H43 N5 O8 | InChI=1S/C23H43N5O8/c1-5- 27-15-8-13(25)18(35-21-14 (28-11(2)29)7-6-12(9-24)3 4-21)16(30)19(15)36-22-17 (31)20(26-4)23(3,32)10-33 -22/h6,13-22,26-27,30-32H ,5,7-10,24-25H2,1-4H3,(H, 28,29)/t13-,14+,15+,16-,1 7+,18+,19-,20-,21+,22+,23 -/m0/s1; GQIIPKQUZXGMPH-PWAQZHRDSA-N |
CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C @@H]2[C@@H]([C@@H]([C@@](CO2)(C)O)NC)O)O )O[C@@H]3[C@@H](CC=C(O3)CN)NC(=O)C)N; CC NC1C(C(C(C(C1)N)OC2C(CC=C(CN)O2)NC(C)=O) O)OC3OCC(C)(C(C3O)NC)O; CCNC1CC(C(C(C1OC 2C(C(C(CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N C(=O)C)N; CCN[CH]1C[CH](N)[CH](O[CH]2OC( =CC[CH]2NC(C)=O)CN)[CH](O)[CH]1O[CH]3OC[ C](C)(O)[CH](NC)[CH]3O; CCN[C@@H]1C[C@H] (N)[C@@H](O[C@H]2OC(=CC[C@H]2NC(C)=O)CN) [C@H](O)[C@H]1O[C@H]3OC[C@](C)(O)[C@@H]( NC)[C@H]3O |
N-[(2S,3R)-2-{[(1R,2S,3S,4R,6S)-6-amino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-lyxopyranosyl]oxy}-4-(ethylamino) -2-hydroxycyclohexyl]oxy}-6-(aminomethyl)-3,4-dihydro-2H-pyran-3-yl]acetamide; acetylated-netilmicin |
| 35115 |  NTM CHEMBL286204 DB01796 ZINC000000331671 |
29 | C7 H5 N O4 | InChI=1S/C7H5NO4/c9-6(10) 4-2-1-3-8-5(4)7(11)12/h1- 3H,(H,9,10)(H,11,12); GJAWHXHKYYXBSV-UHFFFAOYSA-N |
c1cc(c(nc1)C(=O)O)C(=O)O; OC(=O)c1cccnc1 C(O)=O; O=C(O)c1ncccc1C(=O)O |
QUINOLINIC ACID |
| 35116 |  NTN ZINC000002389932 |
13 | C6 H7 N3 | InChI=1S/C6H7N3/c7-6(8)5- 1-3-9-4-2-5/h1-4H,(H3,7,8 ); BIJRUEBMNUUNIJ-UHFFFAOYSA-N |
NC(=N)c1ccncc1; c1cnccc1C(=N)N; [N@H]=C( N)c1ccncc1 |
ISONICOTINAMIDINE |
| 35117 |  NTO CHEMBL1201202 DB00569 |
0 | C31 H53 N3 O49 S8 | InChI=1S/C31H53N3O49S8/c1 -69-27-9(33-85(48,49)50)1 3(37)17(6(74-27)3-71-88(5 7,58)59)76-31-22(83-91(66 ,67)68)16(40)21(24(81-31) 26(43)44)79-29-10(34-86(5 1,52)53)19(82-90(63,64)65 )18(7(75-29)4-72-89(60,61 )62)77-30-15(39)14(38)20( 23(80-30)25(41)42)78-28-8 (32-84(45,46)47)12(36)11( 35)5(73-28)2-70-87(54,55) 56/h5-24,27-40H,2-4H2,1H3 ,(H,41,42)(H,43,44)(H,45, 46,47)(H,48,49,50)(H,51,5 2,53)(H,54,55,56)(H,57,58 ,59)(H,60,61,62)(H,63,64, 65)(H,66,67,68)/t5-,6-,7- ,8-,9-,10-,11-,12-,13-,14 -,15-,16+,17-,18-,19-,20+ ,21+,22-,23+,24-,27+,28-, 29-,30-,31-/m1/s1; KANJSNBRCNMZMV-ABRZTLGGSA-N |
CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO S(=O)(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C @@H](O2)C(=O)O)O[C@@H]3[C@@H]([C@H]([C@@ H]([C@H](O3)COS(=O)(=O)O)O[C@H]4[C@@H]([ C@H]([C@@H]([C@H](O4)C(=O)O)O[C@@H]5[C@@ H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O) O)NS(=O)(=O)O)O)O)OS(=O)(=O)O)NS(=O)(=O) O)O)OS(=O)(=O)O)O)NS(=O)(=O)O; CO[C@H]1O [C@H](CO[S](O)(=O)=O)[C@@H](O[C@@H]2O[C@ H]([C@@H](O[C@H]3O[C@H](CO[S](O)(=O)=O)[ C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@H]5O[C@ H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H] 5N[S](O)(=O)=O)[C@H](O)[C@H]4O)C(O)=O)[C @H](O[S](O)(=O)=O)[C@H]3N[S](O)(=O)=O)[C @H](O)[C@H]2O[S](O)(=O)=O)C(O)=O)[C@H](O )[C@H]1N[S](O)(=O)=O; COC1C(C(C(C(O1)COS (=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C( C(O3)COS(=O)(=O)O)OC4C(C(C(C(O4)C(=O)O)O C5C(C(C(C(O5)COS(=O)(=O)O)O)O)NS(=O)(=O) O)O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(= O)O)O)NS(=O)(=O)O; CO[CH]1O[CH](CO[S](O) (=O)=O)[CH](O[CH]2O[CH]([CH](O[CH]3O[CH] (CO[S](O)(=O)=O)[CH](O[CH]4O[CH]([CH](O[ CH]5O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[ CH]5N[S](O)(=O)=O)[CH](O)[CH]4O)C(O)=O)[ CH](O[S](O)(=O)=O)[CH]3N[S](O)(=O)=O)[CH ](O)[CH]2O[S](O)(=O)=O)C(O)=O)[CH](O)[CH ]1N[S](O)(=O)=O; O=S(=O)(O)NC5C(O)C(O)C( OC5OC1C(O)C(O)C(OC1C(=O)O)OC4C(OC(OC3C(O )C(OS(=O)(=O)O)C(OC2C(O)C(NS(=O)(=O)O)C( OC)OC2COS(=O)(=O)O)OC3C(=O)O)C(NS(=O)(=O )O)C4OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O )O |
TRISULFOAMINO HEPARIN PENTASACCHARIDE; Fondaparinux |
| 35118 |  NTP |
0 | C36 H60 O55 S9 | InChI=1S/C36H60O55S9/c1-6 8-13-10(7-74-92(41,42)43) 78-34(26(16(13)69-2)88-97 (56,57)58)82-19-17(70-3)2 5(72-5)33(84-23(19)30(37) 38)80-15-12(9-76-94(47,48 )49)79-35(29(91-100(65,66 )67)22(15)87-96(53,54)55) 83-20-18(71-4)27(89-98(59 ,60)61)36(85-24(20)31(39) 40)81-14-11(8-75-93(44,45 )46)77-32(73-6)28(90-99(6 2,63)64)21(14)86-95(50,51 )52/h10-29,32-36H,7-9H2,1 -6H3,(H,37,38)(H,39,40)(H ,41,42,43)(H,44,45,46)(H, 47,48,49)(H,50,51,52)(H,5 3,54,55)(H,56,57,58)(H,59 ,60,61)(H,62,63,64)(H,65, 66,67)/t10-,11-,12-,13-,1 4-,15-,16+,17+,18+,19+,20 +,21+,22+,23+,24-,25-,26- ,27-,28-,29-,32+,33-,34-, 35-,36-/m1/s1; MQLWHPBUPXUQHM-XAYBSJBFSA-N |
CO[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O[C @@H]2O[C@H]([C@@H](O[C@H]3O[C@H](CO[S](O )(=O)=O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[ C@H]5O[C@H](CO[S](O)(=O)=O)[C@@H](OC)[C@ H](OC)[C@H]5O[S](O)(=O)=O)[C@H](OC)[C@H] 4OC)C(O)=O)[C@H](O[S](O)(=O)=O)[C@H]3O[S ](O)(=O)=O)[C@H](OC)[C@H]2O[S](O)(=O)=O) C(O)=O)[C@H](O[S](O)(=O)=O)[C@H]1O[S](O) (=O)=O; CO[CH]1O[CH](CO[S](O)(=O)=O)[CH] (O[CH]2O[CH]([CH](O[CH]3O[CH](CO[S](O)(= O)=O)[CH](O[CH]4O[CH]([CH](O[CH]5O[CH](C O[S](O)(=O)=O)[CH](OC)[CH](OC)[CH]5O[S]( O)(=O)=O)[CH](OC)[CH]4OC)C(O)=O)[CH](O[S ](O)(=O)=O)[CH]3O[S](O)(=O)=O)[CH](OC)[C H]2O[S](O)(=O)=O)C(O)=O)[CH](O[S](O)(=O) =O)[CH]1O[S](O)(=O)=O; O=S(=O)(OC5C(OC)C (OC)C(OC5OC1C(OC)C(OC)C(OC1C(=O)O)OC4C(O C(OC3C(OC)C(OS(=O)(=O)O)C(OC2C(OS(=O)(=O )O)C(OS(=O)(=O)O)C(OC)OC2COS(=O)(=O)O)OC 3C(=O)O)C(OS(=O)(=O)O)C4OS(=O)(=O)O)COS( =O)(=O)O)COS(=O)(=O)O)O; COC1C(OC(C(C1OC )OS(=O)(=O)O)OC2C(C(C(OC2C(=O)O)OC3C(OC( C(C3OS(=O)(=O)O)OS(=O)(=O)O)OC4C(C(C(OC4 C(=O)O)OC5C(OC(C(C5OS(=O)(=O)O)OS(=O)(=O )O)OC)COS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O )(=O)O)OC)OC)COS(=O)(=O)O; CO[C@@H]1[C@H ](O[C@@H]([C@@H]([C@H]1OC)OS(=O)(=O)O)O[ C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O) O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OS(=O )(=O)O)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([ C@@H](O[C@H]4C(=O)O)O[C@@H]5[C@H](O[C@@H ]([C@@H]([C@H]5OS(=O)(=O)O)OS(=O)(=O)O)O C)COS(=O)(=O)O)OS(=O)(=O)O)OC)COS(=O)(=O )O)OC)OC)COS(=O)(=O)O |
HEPARIN PENTASACCHARIDE |
| 35119 |  NTQ CHEMBL4639973 |
2 | C17 H20 F2 N4 O2 | InChI=1S/C17H20F2N4O2/c1- 8-14-11(6-13(24)21-15(14) 23-22-8)9-2-4-10(5-3-9)20 -16(25)12-7-17(12,18)19/h 6,9-10,12H,2-5,7H2,1H3,(H ,20,25)(H2,21,22,23,24)/t 9-,10-,12-/m0/s1; OWAGRTBSGRSEOG-NHCYSSNCSA-N |
Cc1c2c(n[nH]1)NC(=O)C=C2C3CCC(CC3)NC(=O) [C@@H]4CC4(F)F; Cc1[nH]nc2NC(=O)C=C([C@@ H]3CC[C@H](CC3)NC(=O)[C@@H]4CC4(F)F)c12; Cc1[nH]nc2NC(=O)C=C([CH]3CC[CH](CC3)NC( =O)[CH]4CC4(F)F)c12; Cc1c2c(n[nH]1)NC(=O )C=C2C3CCC(CC3)NC(=O)C4CC4(F)F |
(1~{S})-2,2-bis(fluoranyl)-~{N}-[4-(3-methyl-6-oxidanylidene-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]cyclopropane-1-carboxamide |
| 35120 |  NTR ZINC000002018403 |
0 | C8 H9 N O4 | InChI=1S/C8H9NO4/c9-7(8(1 2)13)4-1-2-5(10)6(11)3-4/ h1-3,7,10-11H,9H2,(H,12,1 3)/t7-/m1/s1; ZBWTWPZGSGMRTG-SSDOTTSWSA-N |
c1cc(c(cc1C(C(=O)O)N)O)O; c1cc(c(cc1[C@H ](C(=O)O)N)O)O; O=C(O)C(c1cc(O)c(O)cc1)N ; N[CH](C(O)=O)c1ccc(O)c(O)c1; N[C@@H](C (O)=O)c1ccc(O)c(O)c1 |
META-HYDROXY BETA NOR-TYROSINE |
| 35121 |  NTS DB04409 |
1 | C10 H5 O9 S3 | InChI=1S/C10H8O9S3/c11-20 (12,13)7-1-2-9-6(3-7)4-8( 21(14,15)16)5-10(9)22(17, 18)19/h1-5H,(H,11,12,13)( H,14,15,16)(H,17,18,19)/p -3; ZPBSAMLXSQCSOX-UHFFFAOYSA-K |
[O-][S](=O)(=O)c1ccc2c(c1)cc(cc2[S]([O-] )(=O)=O)[S]([O-])(=O)=O; [O-]S(=O)(=O)c1 cc2c(cc1)c(cc(c2)S([O-])(=O)=O)S([O-])(= O)=O; c1cc2c(cc1S(=O)(=O)[O-])cc(cc2S(=O )(=O)[O-])S(=O)(=O)[O-] |
NAPHTHALENE TRISULFONATE |
| 35122 |  NTT ZINC000263620830 |
0 | C12 H18 N3 O9 P | InChI=1S/C12H18N3O9P/c1-6 -3-15(11(18)13-9(6)17)10- 7-8(16)12(23-10,4-14(2)24 -7)5-22-25(19,20)21/h3,7- 8,10,16H,4-5H2,1-2H3,(H,1 3,17,18)(H2,19,20,21)/t7- ,8+,10-,12-/m1/s1; OFICQOIAWJEWLX-UJYYTQATSA-N |
CN1C[C]2(CO[P](O)(O)=O)O[CH]([CH](O1)[CH ]2O)N3C=C(C)C(=O)NC3=O; CC1=CN(C(=O)NC1= O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CN(O3)C)C OP(=O)(O)O)O; CC1=CN(C(=O)NC1=O)C2C3C(C( O2)(CN(O3)C)COP(=O)(O)O)O; CN1C[C@]2(CO[ P](O)(O)=O)O[C@H]([C@H](O1)[C@@H]2O)N3C= C(C)C(=O)NC3=O; O=C1C(=CN(C(=O)N1)C3OC2( C(O)C3ON(C)C2)COP(=O)(O)O)C |
[(1R,5R,7R,8S)-8-hydroxy-3-methyl-7-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate |
| 35123 |  NTU DB02979 ZINC000012502908 |
2 | C18 H38 N4 S2 | InChI=1S/C18H38N4S2/c1-23 -17(19)21-15-13-11-9-7-5- 3-4-6-8-10-12-14-16-22-18 (20)24-2/h3-16H2,1-2H3,(H 2,19,21)(H2,20,22); IOKDMHHZKWLWKO-UHFFFAOYSA-N |
CSC(=NCCCCCCCCCCCCCCN=C(N)SC)N; CSC(N)=N CCCCCCCCCCCCCCN=C(N)SC; N(=C(/SC)N)\CCCC CCCCCCCCCC/N=C(\SC)N; CS/C(=N\CCCCCCCCCC CCCCN=C(N)SC)/N |
N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE |
| 35124 |  NTV CHEMBL4998099 ZINC000000804572 |
3 | C12 H14 Cl N O2 | InChI=1S/C12H14ClNO2/c1-8 -9(13)4-2-5-10(8)14-12(15 )11-6-3-7-16-11/h2,4-5,11 H,3,6-7H2,1H3,(H,14,15)/t 11-/m0/s1; BKWNJEPRFSSIFE-NSHDSACASA-N |
N(C(=O)C1CCCO1)c2cccc(c2C)Cl; Cc1c(cccc1 Cl)NC(=O)[C@@H]2CCCO2; Cc1c(Cl)cccc1NC(= O)[C@@H]2CCCO2; Cc1c(Cl)cccc1NC(=O)[CH]2 CCCO2; Cc1c(cccc1Cl)NC(=O)C2CCCO2 |
(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide |
| 35125 |  NTW CHEMBL4645814 |
2 | C15 H18 N4 O | InChI=1S/C15H18N4O/c1-9-1 4-12(8-13(20)17-15(14)19- 18-9)11-4-2-10(3-5-11)6-7 -16/h8,10-11H,2-6H2,1H3,( H2,17,18,19,20)/t10-,11-; ZPCWQNHNXIMUEY-XYPYZODXSA-N |
Cc1n[nH]c2NC(=O)C=C([C@H]3CC[C@@H](CC3)C C#N)c12; Cc1c2c([nH]n1)NC(=O)C=C2C3CCC(C C3)CC#N; Cc1n[nH]c2NC(=O)C=C([CH]3CC[CH] (CC3)CC#N)c12 |
2-[4-(3-methyl-6-oxidanylidene-1,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]ethanenitrile |
| 35126 |  NTX CHEMBL3289301 |
1 | C29 H34 N6 O3 | InChI=1S/C29H34N6O3/c30-2 3-7-9-24(10-8-23)35-29(36 )22-13-25(37-16-18-3-1-5- 20(11-18)27(31)32)15-26(1 4-22)38-17-19-4-2-6-21(12 -19)28(33)34/h1-6,11-15,2 3-24H,7-10,16-17,30H2,(H3 ,31,32)(H3,33,34)(H,35,36 )/t23-,24-; UKPKEJBTCDGYRU-RQNOJGIXSA-N |
N[CH]1CC[CH](CC1)NC(=O)c2cc(OCc3cccc(c3) C(N)=N)cc(OCc4cccc(c4)C(N)=N)c2; c1cc(cc (c1)C(=N)N)COc2cc(cc(c2)OCc3cccc(c3)C(=N )N)C(=O)NC4CCC(CC4)N; [H]/N=C(\N)/c1cc(c cc1)COc2cc(cc(c2)C(=O)NC3CCC(CC3)N)OCc4c c(ccc4)/C(=N/[H])/N; O=C(NC1CCC(N)CC1)c4 cc(OCc2cccc(C(=[N@H])N)c2)cc(OCc3cccc(C( =[N@H])N)c3)c4; N[C@H]1CC[C@@H](CC1)NC(= O)c2cc(OCc3cccc(c3)C(N)=N)cc(OCc4cccc(c4 )C(N)=N)c2 |
N-(trans-4-aminocyclohexyl)-3,5-bis[(3-carbamimidoylbenzyl)oxy]benzamide |
| 35127 |  NTY DB04308 |
0 | C8 H9 N O3 | InChI=1/C8H9NO3/c9-7(8(11 )12)5-1-3-6(10)4-2-5/h1-4 ,7,10H,9H2,(H,11,12)/t7-/ m1/s1/f/h11H; LJCWONGJFPCTTL-OVWMGBBEDO |
N[CH](C(O)=O)c1ccc(O)cc1; O=C(O)C(N)c1cc c(O)cc1; c1cc(ccc1C(C(=O)O)N)O; c1cc(ccc 1[C@H](C(=O)O)N)O; N[C@@H](C(O)=O)c1ccc( O)cc1 |
BETA NOR-TYROSINE |
| 35128 |  NTZ DB02471 ZINC000017193216 |
14 | C6 H10 N4 O4 | InChI=1S/C6H10N4O4/c11-1- 2-3(12)4(13)5(14)6-7-8-9- 10(2)6/h2-5,11-14H,1H2/t2 -,3-,4+,5-/m1/s1; UCJXQRFJERKPOZ-SQOUGZDYSA-N |
C([C@@H]1[C@H]([C@@H]([C@H](c2n1nnn2)O)O )O)O; OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O )c2nnnn12; n1nnn2c1C(O)C(O)C(O)C2CO; C(C 1C(C(C(c2n1nnn2)O)O)O)O; OC[CH]1[CH](O)[ CH](O)[CH](O)c2nnnn12 |
NOJIRIMYCINE TETRAZOLE |
| 35129 |  NU0 |
1 | C16 H12 Cl N3 O | InChI=1S/C16H12ClN3O/c17- 13-3-1-2-11(6-13)7-16(21) 20-15-10-19-8-12-4-5-18-9 -14(12)15/h1-6,8-10H,7H2, (H,20,21); VQNYZMIKTVJRNS-UHFFFAOYSA-N |
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cncc3; Clc 1cccc(CC(=O)Nc2cncc3ccncc23)c1; Clc1cccc (c1)CC(=O)Nc1cncc2ccncc21 |
2-(3-chlorophenyl)-N-(2,6-naphthyridin-4-yl)acetamide |
| 35130 |  NU1 CHEMBL123904 DB02690 ZINC000018145500 |
5 | C9 H8 N2 O2 | InChI=1S/C9H8N2O2/c1-5-10 -8-6(9(13)11-5)3-2-4-7(8) 12/h2-4,12H,1H3,(H,10,11, 13); YJDAOHJWLUNFLX-UHFFFAOYSA-N |
CC1=Nc2c(cccc2O)C(=O)N1; CC1=Nc2c(O)cccc 2C(=O)N1; O=C1c2c(N=C(N1)C)c(O)ccc2 |
8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-4-ONE; NU1025 |
| 35131 |  NU2 CHEMBL429736 DB11818 ZINC000006718496 |
1 | C27 H34 N4 O5 | InChI=1S/C27H34N4O5/c1-4- 16(2)23-25(32)29-22(20-13 -18-7-5-6-8-19(18)14-20)2 6(33)31(23)24(21-15-36-17 (3)28-21)27(34)30-9-11-35 -12-10-30/h5-8,15-16,20,2 2-24H,4,9-14H2,1-3H3,(H,2 9,32)/t16-,22+,23+,24+/m0 /s1; PLVGDGRBPMVYPB-FDUHJNRSSA-N |
CCC(C)C1C(=O)NC(C(=O)N1C(c2coc(n2)C)C(=O )N3CCOCC3)C4Cc5ccccc5C4; CC[C@H](C)[C@H] 1N([C@@H](C(=O)N2CCOCC2)c3coc(C)n3)C(=O) [C@H](NC1=O)C4Cc5ccccc5C4; CC[C@H](C)[C@ @H]1C(=O)N[C@@H](C(=O)N1[C@H](c2coc(n2)C )C(=O)N3CCOCC3)C4Cc5ccccc5C4; CC[CH](C)[ CH]1N([CH](C(=O)N2CCOCC2)c3coc(C)n3)C(=O )[CH](NC1=O)C4Cc5ccccc5C4 |
(3~{R},6~{R})-6-[(2~{S})-butan-2-yl]-3-(2,3-dihydro-1~{H}-inden-2-yl)-1-[(1~{R})-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxidanylidene-ethyl]piperazine-2,5-dione |
| 35132 |  NU3 CHEMBL131719 ZINC000000026019 |
1 | C14 H11 N3 O2 | InChI=1S/C14H11N3O2/c15-1 3(19)10-2-1-3-11-12(10)17 -14(16-11)8-4-6-9(18)7-5- 8/h1-7,18H,(H2,15,19)(H,1 6,17); KOUGHMOSYJCJLE-UHFFFAOYSA-N |
c1cc(c2c(c1)[nH]c(n2)c3ccc(cc3)O)C(=O)N; O=C(c3cccc2c3nc(c1ccc(O)cc1)n2)N; NC(=O )c1cccc2[nH]c(nc12)c3ccc(O)cc3 |
2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide |
| 35133 |  NU4 ZINC000001516906 |
11 | C11 H10 N2 O2 | InChI=1S/C11H10N2O2/c1-8- 10(4-7-15-8)11(14)13-9-2- 5-12-6-3-9/h2-7H,1H3,(H,1 2,13,14); YQBDLYFUZJNLDH-UHFFFAOYSA-N |
Cc1occc1C(=O)Nc2ccncc2; N(c1ccncc1)C(c2c coc2C)=O; Cc1c(cco1)C(=O)Nc2ccncc2 |
2-methyl-N-(pyridin-4-yl)furan-3-carboxamide |
| 35134 |  NU5 DB08309 ZINC000016052683 |
2 | C23 H32 N6 O4 S | InChI=1S/C23H32N6O4S/c30- 13-4-11-24-12-14-34(31,32 )19-9-7-18(8-10-19)27-23- 28-21-20(25-16-26-21)22(2 9-23)33-15-17-5-2-1-3-6-1 7/h7-10,16-17,24,30H,1-6, 11-15H2,(H2,25,26,27,28,2 9); AMFGILNPFBVREA-UHFFFAOYSA-N |
O=S(=O)(c1ccc(cc1)Nc3nc2c(ncn2)c(n3)OCC4 CCCCC4)CCNCCCO; c1cc(ccc1Nc2nc3c(c(n2)OC C4CCCCC4)nc[nH]3)S(=O)(=O)CCNCCCO; OCCCN CC[S](=O)(=O)c1ccc(Nc2nc3[nH]cnc3c(OCC4C CCCC4)n2)cc1 |
3-({2-[(4-{[6-(CYCLOHEXYLMETHOXY)-9H-PURIN-2-YL]AMINO}PHENYL)SULFONYL]ETHYL}AMINO)PROPAN-1-OL |
| 35135 |  NU6 CHEMBL4742985 ZINC000584905644 |
1 | C19 H22 N6 O2 | InChI=1S/C19H22N6O2/c20-1 6(26)13-7-4-8-14(9-13)23- 19-24-17-15(21-11-22-17)1 8(25-19)27-10-12-5-2-1-3- 6-12/h4,7-9,11-12H,1-3,5- 6,10H2,(H2,20,26)(H2,21,2 2,23,24,25); XAOVCENYRWWHPR-UHFFFAOYSA-N |
c1cc(cc(c1)Nc2nc3c(c(n2)OCC4CCCCC4)nc[nH ]3)C(=O)N; NC(=O)c1cccc(Nc2nc3[nH]cnc3c( OCC4CCCCC4)n2)c1 |
3-[[6-(cyclohexylmethoxy)-9~{H}-purin-2-yl]amino]benzamide |
| 35136 |  NU7 CHEMBL4525406 ZINC000098209245 |
3 | C26 H24 F3 N5 O2 S | InChI=1S/C26H24F3N5O2S/c1 -34-12-10-25(11-13-34,24- 31-20(15-37-24)17-6-3-2-4 -7-17)16-30-22(35)19-9-5- 8-18(14-19)21-32-23(36-33 -21)26(27,28)29/h2-9,14-1 5H,10-13,16H2,1H3,(H,30,3 5); BQFISAUAZNJOEG-UHFFFAOYSA-N |
CN1CCC(CC1)(CNC(=O)c2cccc(c2)c3noc(n3)C( F)(F)F)c4scc(n4)c5ccccc5; FC(F)(F)c1nc(n o1)c2cccc(c2)C(=O)NCC5(c3nc(cs3)c4ccccc4 )CCN(C)CC5; CN1CCC(CC1)(CNC(=O)c2cccc(c2 )c3nc(on3)C(F)(F)F)c4nc(cs4)c5ccccc5 |
N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide |
| 35137 |  NU8 CHEMBL3740099 ZINC000141996744 |
1 | C20 H15 F3 N4 O5 S | InChI=1S/C20H15F3N4O5S/c1 -31-16-8-12(9-25-19(16)32 -2)27-20(28)26(10-13-14(2 2)6-11(21)7-15(13)23)18-1 7(33(27,29)30)4-3-5-24-18 /h3-9H,10H2,1-2H3; SUQZCEUKWPKXEE-UHFFFAOYSA-N |
COc1cc(cnc1OC)N2C(=O)N(Cc3c(F)cc(F)cc3F) c4ncccc4[S]2(=O)=O; COc1cc(cnc1OC)N2C(=O )N(c3c(cccn3)S2(=O)=O)Cc4c(cc(cc4F)F)F |
2-(5,6-dimethoxypyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one |
| 35138 |  NU9 CHEMBL3110004 ZINC000095828732 |
1 | C25 H21 F3 N4 O3 S | InChI=1S/C25H21F3N4O3S/c2 6-25(27,28)22-31-20(32-35 -22)17-7-4-8-18(13-17)21( 33)29-15-24(9-11-34-12-10 -24)23-30-19(14-36-23)16- 5-2-1-3-6-16/h1-8,13-14H, 9-12,15H2,(H,29,33); HORXBWNTEDOVKN-UHFFFAOYSA-N |
FC(F)(F)c1nc(no1)c2cccc(c2)C(=O)NCC5(c3n c(cs3)c4ccccc4)CCOCC5; FC(F)(F)c1onc(n1) c2cccc(c2)C(=O)NCC3(CCOCC3)c4scc(n4)c5cc ccc5; c1ccc(cc1)c2csc(n2)C3(CCOCC3)CNC(= O)c4cccc(c4)c5nc(on5)C(F)(F)F |
N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide |
| 35139 |  NUA ZINC000058393661 |
9 | C10 H15 N3 O | InChI=1S/C10H15N3O/c1-2-1 3-7-9(6-11-13)12-10(14)8- 4-3-5-8/h6-8H,2-5H2,1H3,( H,12,14); UVTFDTBDFQZRHD-UHFFFAOYSA-N |
CCn1cc(cn1)NC(=O)C2CCC2; n1(CC)ncc(c1)NC (=O)C2CCC2; CCn1cc(NC(=O)C2CCC2)cn1 |
N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide |
| 35140 |  NUB CHEMBL4456922 |
2 | C20 H23 N3 O2 | InChI=1S/C20H23N3O2/c1-14 -11-16(13-22(2)20(14)24)1 9-21-17-5-3-4-6-18(17)23( 19)12-15-7-9-25-10-8-15/h 3-6,11,13,15H,7-10,12H2,1 -2H3; IWELMDBRVJWCNU-UHFFFAOYSA-N |
CC1=CC(=CN(C1=O)C)c2nc3ccccc3n2CC4CCOCC4 ; CN1C=C(C=C(C)C1=O)c2nc3ccccc3n2CC4CCOC C4 |
1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one; 1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one |
| 35141 |  NUC |
8 | C23 H24 N4 O3 | InChI=1S/C23H24N4O3/c1-14 -17-5-3-4-6-19(17)30-20(1 4)13-27(2)21(28)10-7-15-1 1-16-8-9-18(24)23(29)26-2 2(16)25-12-15/h3-7,10-12, 18H,8-9,13,24H2,1-2H3,(H, 25,26,29)/b10-7+/t18-/m0/ s1; ZWQNEFFHBSGFHV-HKMNZKMDSA-N |
NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2 ccccc2c1C; CN(Cc1oc2ccccc2c1C)C(=O)C=Cc3 cnc4NC(=O)[CH](N)CCc4c3; Cc1c2ccccc2oc1C N(C)C(=O)C=Cc3cc4c(nc3)NC(=O)C(CC4)N; CN (Cc1oc2ccccc2c1C)C(=O)\C=C\c3cnc4NC(=O)[ C@@H](N)CCc4c3; Cc1c2ccccc2oc1CN(C)C(=O) /C=C/c3cc4c(nc3)NC(=O)[C@H](CC4)N |
(2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide |
| 35142 |  NUD CHEMBL3086883 ZINC000097758762 |
1 | C18 H17 N5 O3 S | InChI=1S/C18H17N5O3S/c1-1 2-10-16(15(19)11-17(12)24 )22-21-13-5-7-14(8-6-13)2 7(25,26)23-18-4-2-3-9-20- 18/h2-11,24H,19H2,1H3,(H, 20,23)/b22-21+; DZTGIRNXWSZBIM-QURGRASLSA-N |
Cc1cc(c(cc1O)N)/N=N/c2ccc(cc2)S(=O)(=O)N c3ccccn3; Cc1cc(N=Nc2ccc(cc2)[S](=O)(=O) Nc3ccccn3)c(N)cc1O; Cc1cc(c(cc1O)N)N=Nc2 ccc(cc2)S(=O)(=O)Nc3ccccn3; O=S(=O)(Nc1n cccc1)c3ccc(/N=N/c2cc(c(O)cc2N)C)cc3 |
4-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide |
| 35143 |  NUE CHEMBL3086884 ZINC000098209246 |
1 | C19 H19 N5 O3 S | InChI=1S/C19H19N5O3S/c1-1 2-11-16(18(20)13(2)19(12) 25)23-22-14-6-8-15(9-7-14 )28(26,27)24-17-5-3-4-10- 21-17/h3-11,25H,20H2,1-2H 3,(H,21,24)/b23-22+; PJXWUXARDBIOKJ-GHVJWSGMSA-N |
O=S(=O)(Nc1ncccc1)c3ccc(/N=N/c2cc(c(O)c( c2N)C)C)cc3; Cc1cc(c(c(c1O)C)N)N=Nc2ccc( cc2)S(=O)(=O)Nc3ccccn3; Cc1cc(c(c(c1O)C) N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3; Cc1 cc(N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3)c(N )c(C)c1O |
4-[(E)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide |
| 35144 |  NUF |
0 | C34 H38 F2 N4 Ni O4 | InChI=1S/C34H40F2N4O4.Ni/ c35-29-21-31(37-23-25-7-9 -27(19-33(25)41)43-17-15- 39-11-3-1-4-12-39)32(22-3 0(29)36)38-24-26-8-10-28( 20-34(26)42)44-18-16-40-1 3-5-2-6-14-40;/h7-10,19-2 4,41-42H,1-6,11-18H2;/q;+ 2/p-2/b37-23+,38-24+;; KYJUZDGNLQRIDM-OHUAMDITSA-L |
Fc8cc3c(N5=Cc7c(O[Ni]54Oc2cc(OCCN1CCCCC1 )ccc2C=N34)cc(OCCN6CCCCC6)cc7)cc8F; Fc1c c2N|3=Cc4ccc(OCCN5CCCCC5)cc4O[Ni]|6|3Oc7 cc(OCCN8CCCCC8)ccc7C=N|6c2cc1F; c1cc2c(c c1OCCN3CCCCC3)O[Ni]45[N](=C2)c6cc(c(cc6[ N]4=Cc7ccc(cc7O5)OCCN8CCCCC8)F)F |
[2,2'-{(4,5-difluorobenzene-1,2-diyl)bis[(nitrilo-kappaN)methylylidene]}bis{5-[2-(piperidin-1-yl)ethoxy]phenolato-kappa O}(2-)]nickel (II); N,N-Bis[4-[[1-(2-ethyl)piperidine]oxy]salicylidene]-4,5-difluoro-1,2-phenylenediamine-Nickel (II) |
| 35145 |  NUG |
4 | C10 H17 N O S | InChI=1S/C10H17NOS/c12-10 -1-4-11(5-2-10)7-9-3-6-13 -8-9/h3,10,12H,1-2,4-8H2; PFVAURGZHWBFTG-UHFFFAOYSA-N |
N2(CC1=CCSC1)CCC(CC2)O; C1CN(CCC1O)CC2=C CSC2; OC1CCN(CC1)CC2=CCSC2 |
1-[(2,5-dihydrothiophen-3-yl)methyl]piperidin-4-ol |
| 35146 |  NUH CHEMBL4452292 |
3 | C13 H13 N O2 | InChI=1S/C13H13NO2/c1-14- 9-11(6-7-13(14)15)10-4-3- 5-12(8-10)16-2/h3-9H,1-2H 3; WBOQDJCUHPQCRG-UHFFFAOYSA-N |
CN1C=C(C=CC1=O)c2cccc(c2)OC; COc1cccc(c1 )C2=CN(C)C(=O)C=C2 |
5-(3-methoxyphenyl)-1-methyl-pyridin-2-one; 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one |
| 35147 |  NUI |
4 | C40 H52 Fe4 N8 O6 S10 | InChI=1S/2C20H28N4O3S3.4F e.4S/c2*25-17(4-2-1-3-16- 19-15(11-30-16)23-20(27)2 4-19)21-8-18(26)22-14-6-1 2(9-28)5-13(7-14)10-29;;; ;;;;;/h2*5-7,15-16,19,28- 29H,1-4,8-11H2,(H,21,25)( H,22,26)(H2,23,24,27);;;; ;;;;/q;;2*+1;2*+2;4*-1/p- 4/t2*15-,16-,19-;;;;;;;;/ m00......../s1; BUAXODRGONQWCA-XTALMZNNSA-J |
c1c2cc(cc1CS[Fe+]34[S-]5[Fe]6([S-]3[Fe+] 78[S-]6[Fe]5([S-]47)SCc9cc(cc(c9)NC(=O)C NC(=O)CCCCC1C3C(CS1)NC(=O)N3)CS8)SC2)NC( =O)CNC(=O)CCCCC1C2C(CS1)NC(=O)N2; O=C(CC CC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCC(=O) Nc3cc4CS[Fe@]56[S-]7[Fe@]89SCc%10cc(CS[F e@@+]%11([S-]58)[S-]6[Fe@@+]7(SCc(c4)c3) [S-]9%11)cc(NC(=O)CNC(=O)CCCC[C@@H]%12SC [C@@H]%13NC(=O)N[C@H]%12%13)c%10; c1c2cc (cc1CS[Fe+]34[S-]5[Fe]6([S-]3[Fe+]78[S-] 6[Fe]5([S-]47)SCc9cc(cc(c9)NC(=O)CNC(=O) CCCC[C@H]1[C@@H]3[C@H](CS1)NC(=O)N3)CS8) SC2)NC(=O)CNC(=O)CCCC[C@H]1[C@@H]2[C@H]( CS1)NC(=O)N2; O=C(CCCC[CH]1SC[CH]2NC(=O) N[CH]12)NCC(=O)Nc3cc4CS[Fe]56[S-]7[Fe]89 SCc%10cc(CS[Fe+]%11([S-]58)[S-]6[Fe+]7(S Cc(c4)c3)[S-]9%11)cc(NC(=O)CNC(=O)CCCC[C H]%12SC[CH]%13NC(=O)N[CH]%12%13)c%10 |
5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[[20-[2-[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethanoylamino]-2$l^{3},4,12,14$l^{3},16,24,25$l^{3},27$l^{3}-octathia-1$l^{4},3$l^{4},13$l^{4},15$l^{4}-tetraferranonacyclo[11.11.1.1^{1,13}.1^{6,10}.1^{18,22}.0^{2,15}.0^{3,14}.0^{3,25}.0^{15,27}]octacosa-6(28),7,9,18,20,22(26)-hexaen-8-yl]amino]-2-oxidanylidene-ethyl]pentanamide |
| 35148 |  NUJ |
4 | C11 H17 N3 O | InChI=1S/C11H17N3O/c1-7-4 -11(13-8(2)12-7)14(3)9-5- 10(15)6-9/h4,9-10,15H,5-6 H2,1-3H3/t9-,10-; SEZOHQAJJCEOMQ-MGCOHNPYSA-N |
CN([CH]1C[CH](O)C1)c2cc(C)nc(C)n2; Cc1cc (nc(n1)C)N(C)C2CC(C2)O; N(c1nc(C)nc(c1)C )(C)C2CC(C2)O; CN([C@@H]1C[C@@H](O)C1)c2 cc(C)nc(C)n2 |
trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol |
| 35149 |  NUK CHEMBL1173787 ZINC000000107891 |
4 | C7 H4 O2 S2 | InChI=1S/C7H4O2S2/c8-7(9) 6-3-5-4(11-6)1-2-10-5/h1- 3H,(H,8,9); GVZXSZWCZGKLRS-UHFFFAOYSA-N |
c1csc2c1sc(c2)C(=O)O; OC(=O)c1sc2ccsc2c1 | thieno[3,2-b]thiophene-5-carboxylic acid |
| 35150 |  NUL |
1 | C20 H25 N O4 | InChI=1S/C20H25NO4/c1-11- 6-5-7-12-10-13(19(25-4)21 -16(11)12)17(23)15-14(22) 8-9-20(2,3)18(15)24/h5-10 ,14-15,17-18,22-24H,1-4H3 /t14-,15+,17-,18+/m1/s1; AYRKTHYXDWJLTM-ATLSCFEFSA-N |
Cc1cccc2c1nc(c(c2)C(C3C(C=CC(C3O)(C)C)O) O)OC; COc1nc2c(C)cccc2cc1[C@@H](O)[C@@H] 3[C@H](O)C=CC(C)(C)[C@H]3O; Cc1cccc2c1nc (c(c2)[C@H]([C@@H]3[C@@H](C=CC([C@H]3O)( C)C)O)O)OC; COc1nc2c(C)cccc2cc1[CH](O)[C H]3[CH](O)C=CC(C)(C)[CH]3O |
(1S,2R,3R)-2-[(S)-(2-methoxy-8-methyl-quinolin-3-yl)-oxidanyl-methyl]-6,6-dimethyl-cyclohex-4-ene-1,3-diol |
| 35151 |  NUM ZINC000001016488 |
7 | C14 H14 N2 O2 | InChI=1S/C14H14N2O2/c17-1 2-6-4-11(5-7-12)8-10-16-1 4(18)13-3-1-2-9-15-13/h1- 7,9,17H,8,10H2,(H,16,18); YXENGKAXLJYJOP-UHFFFAOYSA-N |
N(C(c1ccccn1)=O)CCc2ccc(cc2)O; Oc1ccc(CC NC(=O)c2ccccn2)cc1; c1ccnc(c1)C(=O)NCCc2 ccc(cc2)O |
N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide |
| 35152 |  NUN |
6 | C18 H18 N2 O S | InChI=1S/C18H18N2OS/c1-18 (2,3)15(21)11-22-17-19-10 -13-9-8-12-6-4-5-7-14(12) 16(13)20-17/h4-10H,11H2,1 -3H3; VMPYQZVECCZOSV-UHFFFAOYSA-N |
CC(C)(C)C(=O)CSc1ncc2ccc3ccccc3c2n1; CC( C)(C)C(=O)CSc1nc2c3ccccc3ccc2cn1 |
1-[(benzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one |
| 35153 |  NUO |
1 | C19 H26 Cl N3 O2 | InChI=1S/C19H26ClN3O2/c20 -13-17(24)21-14-15-7-11-2 3(12-8-15)18(25)19(9-4-10 -19)22-16-5-2-1-3-6-16/h1 -3,5-6,15,22H,4,7-14H2,(H ,21,24); FTHNPKJZIJMFGT-UHFFFAOYSA-N |
ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCC2)Nc3cccc c3; c1ccc(cc1)NC2(CCC2)C(=O)N3CCC(CC3)CN C(=O)CCl |
2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide |
| 35154 |  NUP CHEMBL514137 ZINC000014975890 |
19 | C9 H14 N3 O9 P | InChI=1S/C9H14N3O9P/c10-4 -1-5(13)11-9(16)12(4)8-7( 15)6(14)3(21-8)2-20-22(17 ,18)19/h1,3,6-8,14-15H,2, 10H2,(H,11,13,16)(H2,17,1 8,19)/t3-,6-,7-,8-/m1/s1; DUFXRFNPGXQQOI-YXZULKJRSA-N |
C1=C(N(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O )O)O)N; NC1=CC(=O)NC(=O)N1[C@@H]2O[C@H]( CO[P](O)(O)=O)[C@@H](O)[C@H]2O; O=C1NC(= O)N(C(N)=C1)C2OC(C(O)C2O)COP(=O)(O)O; C1 =C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H ](O2)COP(=O)(O)O)O)O)N; NC1=CC(=O)NC(=O) N1[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O |
6-AMINOURIDINE 5'-MONOPHOSPHATE |
| 35155 |  NUQ CHEMBL4450089 |
4 | C15 H12 F N3 O | InChI=1S/C15H12FN3O/c1-19 -8-11(4-7-13(19)20)15-14( 17-9-18-15)10-2-5-12(16)6 -3-10/h2-9H,1H3,(H,17,18); QXLXUFQMLZRGPI-UHFFFAOYSA-N |
CN1C=C(C=CC1=O)c2c([nH]cn2)c3ccc(cc3)F; CN1C=C(C=CC1=O)c2nc[nH]c2c3ccc(F)cc3 |
5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one |
| 35156 |  NUR |
1 | C18 H15 Cl N2 O | InChI=1S/C18H15ClN2O/c1-2 1(18(22)10-13-5-4-7-15(19 )9-13)17-12-20-11-14-6-2- 3-8-16(14)17/h2-9,11-12H, 10H2,1H3; XFUDGCDECOIROA-UHFFFAOYSA-N |
CN(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl; Cl c1cccc(c1)CC(=O)N(C)c1cncc2ccccc21; CN(C (=O)Cc1cccc(Cl)c1)c2cncc3ccccc23 |
2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide |
| 35157 |  NUT CHEMBL191334 DB17039 ZINC000016051336 |
15 | C30 H30 Cl2 N4 O4 | InChI=1S/C30H30Cl2N4O4/c1 -18(2)40-25-16-23(39-3)12 -13-24(25)29-34-27(19-4-8 -21(31)9-5-19)28(20-6-10- 22(32)11-7-20)36(29)30(38 )35-15-14-33-26(37)17-35/ h4-13,16,18,27-28H,14-15, 17H2,1-3H3,(H,33,37)/t27- ,28+/m0/s1; BDUHCSBCVGXTJM-WUFINQPMSA-N |
COc1ccc(c(OC(C)C)c1)C2=N[CH]([CH](N2C(=O )N3CCNC(=O)C3)c4ccc(Cl)cc4)c5ccc(Cl)cc5; O=C5NCCN(C(=O)N3C(=NC(c1ccc(Cl)cc1)C3c2 ccc(Cl)cc2)c4ccc(OC)cc4OC(C)C)C5; CC(C)O c1cc(ccc1C2=NC(C(N2C(=O)N3CCNC(=O)C3)c4c cc(cc4)Cl)c5ccc(cc5)Cl)OC; COc1ccc(c(OC( C)C)c1)C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O) C3)c4ccc(Cl)cc4)c5ccc(Cl)cc5; CC(C)Oc1cc (ccc1C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3 )c4ccc(cc4)Cl)c5ccc(cc5)Cl)OC |
4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one; Nutlin 3a |
| 35158 |  NUU CHEMBL5418920 |
1 | C17 H19 N3 O S | InChI=1S/C17H19N3OS/c1-17 (2,3)14(21)10-22-16-19-9- 11-6-7-13-12(15(11)20-16) 5-4-8-18-13/h4-5,8-9H,6-7 ,10H2,1-3H3; DIKYWZUDUGEQDD-UHFFFAOYSA-N |
CC(C)(C)C(=O)CSc1ncc2CCc3ncccc3c2n1; CC( C)(C)C(=O)CSc1ncc2c(n1)-c3cccnc3CC2; CC( C)(C)C(=O)CSc1nc2c(CCc3ncccc32)cn1 |
1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one |
| 35159 |  NUW CHEMBL4593025 |
1 | C25 H30 N4 O3 | InChI=1S/C25H30N4O3/c1-15 -11-20(12-16(2)23(15)31)2 4-27-21-13-19(25(32)26-4) 5-6-22(21)29(24)14-18-7-9 -28(10-8-18)17(3)30/h5-6, 11-13,18,31H,7-10,14H2,1- 4H3,(H,26,32); XUCCKWZFCMIDPS-UHFFFAOYSA-N |
CNC(=O)c1ccc2n(CC3CCN(CC3)C(C)=O)c(nc2c1 )c4cc(C)c(O)c(C)c4; Cc1cc(cc(c1O)C)c2nc3 cc(ccc3n2CC4CCN(CC4)C(=O)C)C(=O)NC |
2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide; 1-((1-acetylpiperidin-4-yl)methyl)-2-(4-hydroxy-3,5-dimethylphenyl)-N-methyl-1H-benzo[d]imidazole-5-carboxamide |
| 35160 |  NUX CHEMBL5562095 |
1 | C24 H26 Cl2 F2 N2 O3 S | InChI=1S/C24H26Cl2F2N2O3S /c1-4-24(27,28)22(31)14-3 4(33)21-9-8-17(12-20(21)2 6)23(32)30-11-10-29(15(2) 16(30)3)19-7-5-6-18(25)13 -19/h5-9,12-13,15-16H,4,1 0-11,14H2,1-3H3/t15-,16-, 34+/m0/s1; WYHRZGBTLDYJGW-GLVLYPABSA-N |
CCC(F)(F)C(=O)C[S](=O)c1ccc(cc1Cl)C(=O)N 2CCN([CH](C)[CH]2C)c3cccc(Cl)c3; CCC(C(= O)CS(=O)c1ccc(cc1Cl)C(=O)N2CCN(C(C2C)C)c 3cccc(c3)Cl)(F)F; CCC(F)(F)C(=O)C[S@@](= O)c1ccc(cc1Cl)C(=O)N2CCN([C@@H](C)[C@@H] 2C)c3cccc(Cl)c3; CCC(C(=O)C[S@@](=O)c1cc c(cc1Cl)C(=O)N2CCN([C@H]([C@@H]2C)C)c3cc cc(c3)Cl)(F)F |
1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one; 1-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl-3,3-bis(fluoranyl)pentan-2-one |
| 35161 |  NUY ZINC000055250732 |
8 | C12 H18 N2 O S | InChI=1S/C12H18N2OS/c1-10 (2)13-5-7-14(8-6-13)12(15 )11-4-3-9-16-11/h3-4,9-10 H,5-8H2,1-2H3; ZEVVAPJSMUTCRY-UHFFFAOYSA-N |
CC(C)N1CCN(CC1)C(=O)c2cccs2; CC(C)N1CCN( CC1)C(=O)c2sccc2; N1(C(C)C)CCN(CC1)C(c2c ccs2)=O |
[4-(propan-2-yl)piperazin-1-yl](thiophen-2-yl)methanone |
| 35162 |  NUZ CHEMBL2032324 ZINC000008781115 |
3 | C21 H19 Cl N4 O4 | InChI=1S/C21H19ClN4O4/c1- 14-19(20(23-30-14)15-5-3- 2-4-6-15)21(27)25-11-9-24 (10-12-25)18-8-7-16(26(28 )29)13-17(18)22/h2-8,13H, 9-12H2,1H3; OWXBJAPOSQSWAO-UHFFFAOYSA-N |
[O-][N+](=O)c1ccc(c(Cl)c1)N4CCN(C(=O)c3c (onc3c2ccccc2)C)CC4; Cc1onc(c2ccccc2)c1C (=O)N3CCN(CC3)c4ccc(cc4Cl)[N+]([O-])=O; Cc1c(c(no1)c2ccccc2)C(=O)N3CCN(CC3)c4ccc (cc4Cl)[N+](=O)[O-] |
[4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone; nucleozin |
| 35163 |  NV0 |
1 | C20 H22 N2 O5 | InChI=1S/C20H22N2O5/c1-4- 10-22-19(26)16-11(2)12(8- 9-13(16)21(3)20(22)27)18( 25)17-14(23)6-5-7-15(17)2 4/h8-9,23H,4-7,10H2,1-3H3; GZGGFOQLRZHBAA-UHFFFAOYSA-N |
CCCN1C(=O)N(C)c2ccc(c(C)c2C1=O)C(=O)C3=C (O)CCCC3=O; CCCN1C(=O)c2c(c(ccc2N(C1=O)C )C(=O)C3=C(CCCC3=O)O)C |
1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-propyl-quinazoline-2,4-dione |
| 35164 |  NV1 CHEMBL3302647 ZINC000082288978 |
1 | C13 H20 N2 O | InChI=1S/C13H20N2O/c1-9(2 )15(12(16)8-14)13-10(3)6- 5-7-11(13)4/h5-7,9H,8,14H 2,1-4H3; XTROKJGKHGPNON-UHFFFAOYSA-N |
Cc1cccc(c1N(C(C)C)C(=O)CN)C; CC(C)N(C(=O )CN)c1c(C)cccc1C |
2-azanyl-~{N}-(2,6-dimethylphenyl)-~{N}-propan-2-yl-ethanamide |
| 35165 |  NV2 CHEMBL4438171 |
2 | C23 H30 N4 O4 | InChI=1S/C23H30N4O4/c1-16 -11-17(13-25(2)23(16)28)2 2-24-20-12-18(26-7-9-31-1 0-8-26)5-6-21(20)27(22)19 (14-29-3)15-30-4/h5-6,11- 13,19H,7-10,14-15H2,1-4H3; DDSHVVXWYKDTTQ-UHFFFAOYSA-N |
CC1=CC(=CN(C1=O)C)c2nc3cc(ccc3n2C(COC)CO C)N4CCOCC4; COCC(COC)n1c2ccc(cc2nc1C3=CN (C)C(=O)C(=C3)C)N4CCOCC4 |
5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one; 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one |
| 35166 |  NV3 |
6 | C18 H17 Cl N2 O S | InChI=1S/C18H17ClN2OS/c1- 18(2,3)15(22)10-23-17-20- 9-12-5-4-11-6-7-13(19)8-1 4(11)16(12)21-17/h4-9H,10 H2,1-3H3; IRDAWQNLMFUAHZ-UHFFFAOYSA-N |
CC(C)(C)C(=O)CSc1ncc2ccc3ccc(cc3c2n1)Cl; CC(C)(C)C(=O)CSc1ncc2ccc3ccc(Cl)cc3c2n1 ; CC(C)(C)C(=O)CSc1nc2c3cc(Cl)ccc3ccc2cn 1 |
1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one |
| 35167 |  NV4 |
4 | C24 H23 N3 O7 S | InChI=1S/C24H23N3O7S/c1-2 9-17-4-11(5-18(30-2)21(17 )31-3)19-12-6-15-16(34-10 -33-15)7-13(12)22(35-24-2 5-9-26-27-24)14-8-32-23(2 8)20(14)19/h4-7,9,14,19-2 0,22H,8,10H2,1-3H3,(H,25, 26,27)/t14-,19-,20+,22+/m 1/s1; WBKYKDGMCNMECE-QXHRYPSCSA-N |
COc1cc(cc(c1OC)OC)C2c3cc4c(cc3C(C5C2C(=O )OC5)Sc6[nH]cnn6)OCO4; c25c(C(C1C(COC1=O )C2Sc3ncnn3)c4cc(c(c(c4)OC)OC)OC)cc6c(c5 )OCO6; COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(c c3[C@@H]([C@H]5[C@@H]2C(=O)OC5)Sc6[nH]cn n6)OCO4; COc1cc(cc(OC)c1OC)[CH]2[CH]3[CH ](COC3=O)[CH](Sc4[nH]cnn4)c5cc6OCOc6cc25 ; COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@@H]( COC3=O)[C@@H](Sc4[nH]cnn4)c5cc6OCOc6cc25 |
(5R,5aR,8aS,9R)-9-[(4H-1,2,4-triazol-3-yl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one |
| 35168 |  NV5 |
1 | C23 H18 N6 O2 S | InChI=1S/C23H18N6O2S/c1-2 9-18-7-3-2-6-17(18)21-22( 29)26-23(28-27-21)32-14-1 9(30)25-15-9-11-16(12-10- 15)31-20-8-4-5-13-24-20/h 2-13H,14H2,1H3,(H,25,30); ZQQZWZKGMACADA-UHFFFAOYSA-N |
Cn1c2ccccc2c3c1nc(nn3)SCC(=O)Nc4ccc(cc4) Oc5ccccn5; Cn1c2ccccc2c3nnc(SCC(=O)Nc4cc c(Oc5ccccn5)cc4)nc13 |
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-~{N}-(4-pyridin-2-yloxyphenyl)ethanamide |
| 35169 |  NV6 ZINC000000409842 |
4 | C10 H12 N2 O4 | InChI=1S/C10H12N2O4/c11-1 0(16)12-8(9(14)15)5-6-1-3 -7(13)4-2-6/h1-4,8,13H,5H 2,(H,14,15)(H3,11,12,16)/ t8-/m0/s1; PNLKYZVGQWCHBH-QMMMGPOBSA-N |
NC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O; c1cc(cc c1C[C@@H](C(=O)O)NC(=O)N)O; NC(=O)N[C@@H ](Cc1ccc(O)cc1)C(O)=O; c1cc(ccc1CC(C(=O) O)NC(=O)N)O |
(2~{S})-2-(aminocarbonylamino)-3-(4-hydroxyphenyl)propanoic acid |
| 35170 |  NV7 ZINC000019787430 |
4 | C10 H16 N2 O3 S | InChI=1S/C10H16N2O3S/c1-1 6(13,14)12-6-4-11(5-7-12) 9-10-3-2-8-15-10/h2-3,8H, 4-7,9H2,1H3; GATWUHAFAYSJAM-UHFFFAOYSA-N |
CS(=O)(=O)N1CCN(CC1)Cc2ccco2; N2(CCN(Cc1 occc1)CC2)S(C)(=O)=O; C[S](=O)(=O)N1CCN( CC1)Cc2occc2 |
1-[(furan-2-yl)methyl]-4-(methylsulfonyl)piperazine |
| 35171 |  NV8 CHEMBL4590386 |
2 | C21 H23 N3 O3 S | InChI=1S/C21H23N3O3S/c25- 28(26,17-7-2-1-3-8-17)24- 14-6-11-21(24)12-15-23(16 -13-21)20-22-18-9-4-5-10- 19(18)27-20/h1-5,7-10H,6, 11-16H2; KIKWLYIDCILHAP-UHFFFAOYSA-N |
c1ccc(cc1)S(=O)(=O)N2CCCC23CCN(CC3)c4nc5 ccccc5o4; O=[S](=O)(N1CCCC12CCN(CC2)c3oc 4ccccc4n3)c5ccccc5 |
2-[1-(phenylsulfonyl)-1,8-diazaspiro[4.5]decan-8-yl]-1,3-benzoxazole |
| 35172 |  NV9 |
1 | C19 H15 Cl N2 O | InChI=1S/C19H15ClN2O/c20- 16-8-4-5-14(11-16)12-19(2 3)22-18-13-21-10-9-17(18) 15-6-2-1-3-7-15/h1-11,13H ,12H2,(H,22,23); VSOZJTYJJHNDPD-UHFFFAOYSA-N |
c1ccc(cc1)c2ccncc2NC(=O)Cc3cccc(c3)Cl; O =C(Nc1cnccc1c1ccccc1)Cc1cccc(Cl)c1; Clc1 cccc(CC(=O)Nc2cnccc2c3ccccc3)c1 |
2-(3-chlorophenyl)-N-(4-phenylpyridin-3-yl)acetamide |
| 35173 |  NVA CHEMBL55612 DB04185 ZINC000000391821 |
21 | C5 H11 N O2 | InChI=1S/C5H11NO2/c1-2-3- 4(6)5(7)8/h4H,2-3,6H2,1H3 ,(H,7,8)/t4-/m0/s1; SNDPXSYFESPGGJ-BYPYZUCNSA-N |
CCC[CH](N)C(O)=O; CCC[C@H](N)C(O)=O; CCC [C@@H](C(=O)O)N; O=C(O)C(N)CCC; CCCC(C(= O)O)N |
NORVALINE |
| 35174 |  NVB CHEMBL1093749 ZINC000044460276 |
2 | C24 H23 N3 O5 S | InChI=1S/C24H23N3O5S/c1-2 5-33(28,29)17-10-8-15(9-1 1-17)18-6-5-7-19-23(18)27 -20(14-26-19)16-12-21(30- 2)24(32-4)22(13-16)31-3/h 5-14,25H,1-4H3; LYSCAOWDVVWGQK-UHFFFAOYSA-N |
CNS(=O)(=O)c1ccc(cc1)c2cccc3c2nc(cn3)c4c c(c(c(c4)OC)OC)OC; CN[S](=O)(=O)c1ccc(cc 1)c2cccc3ncc(nc23)c4cc(OC)c(OC)c(OC)c4 |
N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide |
| 35175 |  NVC CHEMBL506649 DB08310 ZINC000040980708 |
3 | C19 H25 N3 O4 | InChI=1S/C19H25N3O4/c1-2- 3-7-14(12-21(25)13-23)19( 24)22-11-6-9-16(22)18-20- 15-8-4-5-10-17(15)26-18/h 4-5,8,10,13-14,16,25H,2-3 ,6-7,9,11-12H2,1H3/t14-,1 6+/m1/s1; QDDZLTVSNABZIK-ZBFHGGJFSA-N |
CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c2oc3 ccccc3n2; CCCC[CH](CN(O)C=O)C(=O)N1CCC[C H]1c2oc3ccccc3n2; O=CN(O)CC(C(=O)N3CCCC3 c1nc2ccccc2o1)CCCC; CCCC[C@H](CN(C=O)O)C (=O)N1CCC[C@H]1c2nc3ccccc3o2; CCCCC(CN(C =O)O)C(=O)N1CCCC1c2nc3ccccc3o2 |
N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide |
| 35176 |  NVD CHEMBL1562665 ZINC000000468583 |
6 | C11 H15 N5 | InChI=1S/C11H15N5/c1-15(2 )11-5-3-10(4-6-11)7-14-16 -8-12-13-9-16/h3-6,8-9,14 H,7H2,1-2H3; ZPORTAACPUBAHX-UHFFFAOYSA-N |
N(C)(C)c2ccc(CNn1cnnc1)cc2; CN(C)c1ccc(C Nn2cnnc2)cc1; CN(C)c1ccc(cc1)CNn2cnnc2 |
N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine |
| 35177 |  NVE CHEMBL2335856 ZINC000095590437 |
1 | C27 H33 N4 O5 P | InChI=1S/C27H33N4O5P/c1-5 -31-25-23(27(32)30(4)24-9 -8-16-28-26(24)31)17-21(1 8-29-25)11-10-20-12-14-22 (15-13-20)34-19-37(33,35- 6-2)36-7-3/h8-9,12-18H,5- 7,10-11,19H2,1-4H3; YVBXNGRTCURFDW-UHFFFAOYSA-N |
CCO[P](=O)(COc1ccc(CCc2cnc3N(CC)c4ncccc4 N(C)C(=O)c3c2)cc1)OCC; O=P(OCC)(OCC)COc1 ccc(cc1)CCc4cnc3N(c2ncccc2N(C(=O)c3c4)C) CC; CCN1c2c(cccn2)N(C(=O)c3c1ncc(c3)CCc4 ccc(cc4)OCP(=O)(OCC)OCC)C |
diethyl ({4-[2-(11-ethyl-5-methyl-6-oxo-6,11-dihydro-5H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)ethyl]phenoxy}methyl)phosphonate; nevirapine phosphonate analogue |
| 35178 |  NVF CHEMBL5427332 |
6 | C16 H18 N2 O S2 | InChI=1S/C16H18N2OS2/c1-1 6(2,3)13(19)9-21-15-17-8- 10-4-5-12-11(6-7-20-12)14 (10)18-15/h6-8H,4-5,9H2,1 -3H3; YAJIYFCAESQMRI-UHFFFAOYSA-N |
CC(C)(C)C(=O)CSc1ncc2c(n1)-c3ccsc3CC2; C C(C)(C)C(=O)CSc1ncc2CCc3sccc3c2n1 |
1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one |
| 35179 |  NVG ZINC000016052576 |
2 | C19 H22 N6 O5 | InChI=1S/C19H22N6O5/c20-1 3-7-8-25(19(29)24-13)18-1 7(28)16(27)12(30-18)9-21- 15(26)6-5-14-22-10-3-1-2- 4-11(10)23-14/h1-4,7-8,12 ,16-18,27-28H,5-6,9H2,(H, 21,26)(H,22,23)(H2,20,24, 29)/t12-,16+,17+,18+/m0/s 1; IHRYIMVLMZNCKA-FCRVUTKVSA-N |
c1ccc2c(c1)[nH]c(n2)CCC(=O)NCC3C(C(C(O3) N4C=CC(=NC4=O)N)O)O; c1ccc2c(c1)[nH]c(n2 )CCC(=O)NC[C@H]3[C@H]([C@H]([C@@H](O3)N4 C=CC(=NC4=O)N)O)O; NC1=NC(=O)N(C=C1)[CH] 2O[CH](CNC(=O)CCc3[nH]c4ccccc4n3)[CH](O) [CH]2O; NC1=NC(=O)N(C=C1)[C@@H]2O[C@@H]( CNC(=O)CCc3[nH]c4ccccc4n3)[C@@H](O)[C@H] 2O; O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)C Cc3nc4ccccc4n3 |
4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-ONE |
| 35180 |  NVH CHEMBL4592653 |
2 | C19 H13 F3 N4 O5 S2 | InChI=1S/C19H13F3N4O5S2/c 1-32(28,29)13-7-12(8-23-9 -13)26-19(27)25(10-14-15( 21)5-11(20)6-16(14)22)18- 17(33(26,30)31)3-2-4-24-1 8/h2-9H,10H2,1H3; LWKUASRJTUZHSJ-UHFFFAOYSA-N |
C[S](=O)(=O)c1cncc(c1)N2C(=O)N(Cc3c(F)cc (F)cc3F)c4ncccc4[S]2(=O)=O; CS(=O)(=O)c1 cc(cnc1)N2C(=O)N(c3c(cccn3)S2(=O)=O)Cc4c (cc(cc4F)F)F |
2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one |
| 35181 |  NVI ZINC000005853223 |
5 | C5 H7 N2 | InChI=1S/C5H6N2/c1-2-7-4- 3-6-5-7/h2-5H,1H2/p+1; OSSNTDFYBPYIEC-UHFFFAOYSA-O |
C=C[n+]1cc[nH]c1; C=C\[n+]1ccnc1; C=C[n+ ]1c[nH]cc1 |
1-VINYLIMIDAZOLE |
| 35182 |  NVJ CHEMBL1491504 ZINC000000145618 |
3 | C10 H13 N O2 | InChI=1S/C10H13NO2/c1-2-1 3-10(12)11-8-9-6-4-3-5-7- 9/h3-7H,2,8H2,1H3,(H,11,1 2); XSXLCQLOFRENHC-UHFFFAOYSA-N |
N(Cc1ccccc1)C(=O)OCC; CCOC(=O)NCc1ccccc1 | ethyl benzylcarbamate |
| 35183 |  NVK CHEMBL291536 ZINC000000008794 |
4 | C17 H13 N5 O2 | InChI=1S/C17H13N5O2/c1-10 -20-12-5-4-11(9-15(12)24- 10)21-17(23)22-14-6-8-18- 13-3-2-7-19-16(13)14/h2-9 H,1H3,(H2,18,21,22,23); AKMNUCBQGHFICM-UHFFFAOYSA-N |
Cc1oc2cc(NC(=O)Nc3ccnc4cccnc34)ccc2n1; C c1nc2ccc(cc2o1)NC(=O)Nc3ccnc4c3nccc4 |
1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea |
| 35184 |  NVM |
2 | C11 H14 N2 O S | InChI=1S/C11H14N2OS/c1-9- 3-2-5-13(6-4-9)11(14)10-7 -15-8-12-10/h2,5,7-9H,3-4 ,6H2,1H3/t9-/m1/s1; UZPOAAASLKBFBY-SECBINFHSA-N |
C[CH]1CCN(C=CC1)C(=O)c2cscn2; N1(CCC(C)C C=C1)C(=O)c2cscn2; C[C@H]1CCN(C=CC1)C(=O )c2cscn2; CC1CCN(C=CC1)C(=O)c2cscn2 |
[(4R)-4-methyl-2,3,4,5-tetrahydro-1H-azepin-1-yl](1,3-thiazol-4-yl)methanone |
| 35185 |  NVN CHEMBL1334465 ZINC000003995426 |
3 | C19 H18 F2 N4 O | InChI=1S/C19H18F2N4O/c1-1 1-8-17(15-9-12(20)10-16(2 1)18(15)22-11)24-19(26)23 -13-4-6-14(7-5-13)25(2)3/ h4-10H,1-3H3,(H2,22,23,24 ,26); JTARFZSNUAGHRB-UHFFFAOYSA-N |
Cc1cc(c2cc(cc(c2n1)F)F)NC(=O)Nc3ccc(cc3) N(C)C; CN(C)c1ccc(NC(=O)Nc2cc(C)nc3c(F)c c(F)cc23)cc1 |
1-[6,8-bis(fluoranyl)-2-methyl-quinolin-4-yl]-3-[4-(dimethylamino)phenyl]urea |
| 35186 |  NVO |
1 | C16 H12 Cl N3 O | InChI=1S/C16H12ClN3O/c17- 13-6-3-4-11(8-13)9-15(21) 19-16-14-7-2-1-5-12(14)10 -18-20-16/h1-8,10H,9H2,(H ,19,20,21); ATNZGZHLHMEMFV-UHFFFAOYSA-N |
Clc1cccc(CC(=O)Nc2nncc3ccccc23)c1; Clc1c ccc(c1)CC(=O)Nc1nncc2ccccc21; c1ccc2c(c1 )cnnc2NC(=O)Cc3cccc(c3)Cl |
2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide |
| 35187 |  NVP CHEMBL57 DB00238 ZINC000000004778 |
0 | C15 H14 N4 O | InChI=1S/C15H14N4O/c1-9-6 -8-17-14-12(9)18-15(20)11 -3-2-7-16-13(11)19(14)10- 4-5-10/h2-3,6-8,10H,4-5H2 ,1H3,(H,18,20); NQDJXKOVJZTUJA-UHFFFAOYSA-N |
Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12; O=C2N c1c(ccnc1N(c3ncccc23)C4CC4)C; Cc1ccnc2c1 NC(=O)c3cccnc3N2C4CC4 |
11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE; NON-NUCLEOSIDE RT INHIBITOR NEVIRAPINE |
| 35188 |  NVQ CHEMBL5086809 |
4 | C22 H26 Br N5 O4 S | InChI=1S/C22H26BrN5O4S/c1 -24-13-6-14-25-20-19(27(2 )33(31,32)18-7-4-3-5-8-18 )21(29)26-22(30)28(20)15- 16-9-11-17(23)12-10-16/h3 -5,7-12,24-25H,6,13-15H2, 1-2H3,(H,26,29,30); QIFWEJFIKAQPPP-UHFFFAOYSA-N |
CNCCCNC1=C(N(C)[S](=O)(=O)c2ccccc2)C(=O) NC(=O)N1Cc3ccc(Br)cc3; CNCCCNC1=C(C(=O)N C(=O)N1Cc2ccc(cc2)Br)N(C)S(=O)(=O)c3cccc c3 |
~{N}-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide |
| 35189 |  NVR CHEMBL5393746 |
2 | C23 H21 N3 O5 | InChI=1S/C23H21N3O5/c27-2 0-19-22(28)24-10-9-15-5-3 -7-17(13-15)30-11-1-2-12- 31-18-8-4-6-16(14-18)21(2 5-19)26-23(20)29/h1-8,13- 14,27H,9-12H2,(H,24,28)(H ,25,26,29)/b2-1-; BGEWHIHKXORALY-UPHRSURJSA-N |
O=C1NCCc2cc(ccc2)OCC=CCOc2cccc(c2)C2=NC1 =C(O)C(=O)N2; OC1=C2N=C(NC1=O)c3cccc(OC\ C=C/COc4cccc(CCNC2=O)c4)c3; c1cc2cc(c1)O CC=CCOc3cccc(c3)C4=NC(=C(C(=O)N4)O)C(=O) NCC2; OC1=C2N=C(NC1=O)c3cccc(OCC=CCOc4cc cc(CCNC2=O)c4)c3; c1cc2cc(c1)OC/C=C\COc3 cccc(c3)C4=NC(=C(C(=O)N4)O)C(=O)NCC2 |
(1P,18Z)-5-hydroxy-16,21-dioxa-3,8,28-triazatetracyclo[20.3.1.1~2,6~.1~11,15~]octacosa-1(26),2(28),5,11(27),12,14,18,22,24-nonaene-4,7-dione; SJ001034732-1 (Cis-form) |
| 35190 |  NVS ZINC000043130039 |
6 | C15 H13 N O4 | InChI=1S/C15H13NO4/c1-19- 13-6-3-11(4-7-13)16-9-10- 2-5-12(17)8-14(10)20-15(1 6)18/h2-8,17H,9H2,1H3; IBMJKJJMRYHRNQ-UHFFFAOYSA-N |
COc1ccc(cc1)N2Cc3ccc(O)cc3OC2=O; N2(C(Oc 1cc(O)ccc1C2)=O)c3ccc(cc3)OC; COc1ccc(cc 1)N2Cc3ccc(cc3OC2=O)O |
7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,3-benzoxazin-2-one |
| 35191 |  NVU CHEMBL3792472 ZINC000000161692 |
15 | C9 H7 N O3 | InChI=1S/C9H7NO3/c11-9(12 )5-7-6-3-1-2-4-8(6)13-10- 7/h1-4H,5H2,(H,11,12); BVSIAYQIMUUCRW-UHFFFAOYSA-N |
O=C(O)Cc2noc1ccccc12; c1ccc2c(c1)c(no2)C C(=O)O; OC(=O)Cc1noc2ccccc12 |
2-(1,2-benzoxazol-3-yl)ethanoic acid |
| 35192 |  NVV ZINC000584905635 |
1 | C19 H16 I N3 O2 | InChI=1S/C19H16IN3O2/c20- 13-3-1-2-12(6-13)18(24)16 -9-21-8-15(16)11-4-5-14-1 7(7-11)22-10-23-19(14)25/ h1-7,10,15-16,21H,8-9H2,( H,22,23,25)/t15-,16+/m1/s 1; GWAVIYJKLSHVMT-CVEARBPZSA-N |
c1cc(cc(c1)I)C(=O)[C@H]2CNC[C@@H]2c3ccc4 c(c3)N=CNC4=O; Ic1cccc(c1)C(=O)[C@H]2CNC [C@@H]2c3ccc4C(=O)NC=Nc4c3; c1cc(cc(c1)I )C(=O)C2CNCC2c3ccc4c(c3)N=CNC4=O; Ic1ccc c(c1)C(=O)[CH]2CNC[CH]2c3ccc4C(=O)NC=Nc4 c3 |
7-[(3S,4R)-4-(3-iodanylphenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one |
| 35193 |  NVW CHEMBL2385758 ZINC000095920982 |
2 | C25 H28 N4 O3 S | InChI=1S/C25H28N4O3S/c1-2 5(2,3)29-21(30)16-17-11-1 3-19(14-12-17)26-24-22-20 (10-7-15-33(22,31)32)27-2 3(28-24)18-8-5-4-6-9-18/h 4-6,8-9,11-14H,7,10,15-16 H2,1-3H3,(H,29,30)(H,26,2 7,28); IHIZFBWFXODXJS-UHFFFAOYSA-N |
CC(C)(C)NC(=O)Cc1ccc(Nc2nc(nc3CCC[S](=O) (=O)c23)c4ccccc4)cc1; CC(C)(C)NC(=O)Cc1c cc(cc1)Nc2c3c(nc(n2)c4ccccc4)CCCS3(=O)=O ; O=C(NC(C)(C)C)Cc1ccc(cc1)Nc2nc(nc3c2S( =O)(=O)CCC3)c4ccccc4 |
N-tert-butyl-2-{4-[(5,5-dioxido-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl}acetamide |
| 35194 |  NVX ZINC000263621062 |
2 | C19 H16 Cl N3 O2 | InChI=1S/C19H16ClN3O2/c20 -13-3-1-2-12(6-13)18(24)1 6-9-21-8-15(16)11-4-5-14- 17(7-11)22-10-23-19(14)25 /h1-7,10,15-16,21H,8-9H2, (H,22,23,25)/t15-,16+/m1/ s1; SWYGPPMJBPTZSH-CVEARBPZSA-N |
c1cc(cc(c1)Cl)C(=O)C2CNCC2c3ccc4c(c3)N=C NC4=O; Clc1cccc(c1)C(=O)[CH]2CNC[CH]2c3c cc4C(=O)NC=Nc4c3; Clc1cccc(c1)C(=O)[C@H] 2CNC[C@@H]2c3ccc4C(=O)NC=Nc4c3; c1cc(cc( c1)Cl)C(=O)[C@H]2CNC[C@@H]2c3ccc4c(c3)N= CNC4=O |
7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one |
| 35195 |  NVY |
5 | C13 H19 F N2 | InChI=1S/C13H19FN2/c1-2-1 6-9-7-11(8-10-16)15-13-6- 4-3-5-12(13)14/h3-6,11,15 H,2,7-10H2,1H3; JXDKAPWBGLJUDX-UHFFFAOYSA-N |
N1(CCC(CC1)Nc2ccccc2F)CC; CCN1CCC(CC1)Nc 2ccccc2F |
1-ethyl-N-(2-fluorophenyl)piperidin-4-amine |
| 35196 |  NVZ ZINC000095920950 |
8 | C12 H18 N2 O4 S | InChI=1S/C12H18N2O4S/c1-7 (15)14-8-6-19-9(11(8)13-1 2(14)18)4-2-3-5-10(16)17/ h8-9,11H,2-6H2,1H3,(H,13, 18)(H,16,17)/t8-,9-,11-/m 0/s1; LXKFOEIWWHPOIN-QXEWZRGKSA-N |
CC(=O)N1[C@H]2CS[C@H]([C@H]2NC1=O)CCCCC( =O)O; CC(=O)N1C2CSC(C2NC1=O)CCCCC(=O)O; CC(=O)N1[C@H]2CS[C@@H](CCCCC(O)=O)[C@H]2 NC1=O; CC(=O)N1[CH]2CS[CH](CCCCC(O)=O)[C H]2NC1=O; O=C(O)CCCCC1SCC2N(C(=O)C)C(=O) NC12 |
5-[(3aS,4S,6aR)-1-acetyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid |
| 35197 |  NW0 |
1 | C15 H15 Cl N2 O | InChI=1S/C15H15ClN2O/c1-1 1-7-8-17-10-14(11)18-15(1 9)6-5-12-3-2-4-13(16)9-12 /h2-4,7-10H,5-6H2,1H3,(H, 18,19); CQMIDRCPLJZCFD-UHFFFAOYSA-N |
Cc1ccncc1NC(=O)CCc2cccc(c2)Cl; Cc1ccncc1 NC(=O)CCc2cccc(Cl)c2; O=C(Nc1cnccc1C)CCc 1cccc(Cl)c1 |
3-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide |
| 35198 |  NW1 CHEMBL303958 DB08312 ZINC000003814479 |
1 | C11 H17 N5 O2 | InChI=1S/C11H17N5O2/c12-9 -8(16-17)10(15-11(13)14-9 )18-6-7-4-2-1-3-5-7/h7H,1 -6H2,(H4,12,13,14,15); DGWXOLHKVGDQLN-UHFFFAOYSA-N |
O=Nc2c(OCC1CCCCC1)nc(nc2N)N; Nc1nc(N)c(N =O)c(OCC2CCCCC2)n1; C1CCC(CC1)COc2c(c(nc (n2)N)N)N=O |
6-CYCLOHEXYLMETHYLOXY-5-NITROSO-PYRIMIDINE-2,4-DIAMINE |
| 35199 |  NW2 CHEMBL4646141 |
1 | C27 H29 N O5 | InChI=1S/C27H29NO5/c1-16( 2)19-11-17(9-10-32-26-21( 27(29)30)5-4-6-25(26)31-3 )12-20(13-19)18-7-8-24-22 (14-18)23(28)15-33-24/h4- 8,11-14,16,23H,9-10,15,28 H2,1-3H3,(H,29,30)/t23-/m 1/s1; KXSZMPGKDDBJRE-HSZRJFAPSA-N |
CC(C)c1cc(cc(c1)c2ccc3c(c2)C(CO3)N)CCOc4 c(cccc4OC)C(=O)O; COc1cccc(C(O)=O)c1OCCc 2cc(cc(c2)c3ccc4OC[C@@H](N)c4c3)C(C)C; C C(C)c1cc(cc(c1)c2ccc3c(c2)[C@@H](CO3)N)C COc4c(cccc4OC)C(=O)O; COc1cccc(C(O)=O)c1 OCCc2cc(cc(c2)c3ccc4OC[CH](N)c4c3)C(C)C |
2-[2-[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-propan-2-yl-phenyl]ethoxy]-3-methoxy-benzoic acid |
| 35200 |  NW3 |
3 | C16 H21 N3 O4 S | InChI=1S/C16H21N3O4S/c1-1 6(2)12(15(22)23)19-14(24- 16)10(8-20)18-13(21)11(17 )9-6-4-3-5-7-9/h3-8,10-12 ,14,19H,17H2,1-2H3,(H,18, 21)(H,22,23)/t10-,11-,12- ,14-/m0/s1; WHAIWIUXAXKSOT-MNXVOIDGSA-N |
CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccccc2)N)C(= O)O)C; CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC( =O)[CH](N)c2ccccc2)C=O; O=C(NC(C=O)C1NC( C(=O)O)C(C)(C)S1)C(N)c1ccccc1; CC1([C@@H ](N[C@@H](S1)[C@H](C=O)NC(=O)[C@H](c2ccc cc2)N)C(=O)O)C; CC1(C)S[C@H](N[C@H]1C(O) =O)[C@@H](NC(=O)[C@@H](N)c2ccccc2)C=O |
(2S,4S)-2-[(1S)-1-{[(2S)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |