| OV5 | Name: | 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide | Formula: | C21 H15 Cl F N5 O2 | SMILES: | CCNC(=O)c1ccc(nc1)Nc1cc(nc2C=NC(=O)c12)c1c(F)cccc1Cl | InChi: | InChI=1S/C21H15ClFN5O2/c1-2-24-20(29)11-6-7-17(25-9-11)28-15-8-14(18-12(22)4-3-5-13(18)23)27-16-10-26-21(30)19(15)16/h3-10H,2H2,1H3,(H,24,29)(H,25,27,28) | Definition date: | 2022-05-16 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide |
|
| EIB | Name: | [(3S,3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (E)-2-methyl-4-oxidanyl-but-2-enoate | Formula: | C24 H32 O9 | SMILES: | C[CH]1[CH]2[CH](CC(=CC[CH](OC(C)=O)C(=C[CH]2OC1=O)C)COC(C)=O)OC(=O)C(C)=CCO | InChi: | InChI=1S/C24H32O9/c1-13(8-9-25)23(28)32-21-11-18(12-30-16(4)26)6-7-19(31-17(5)27)14(2)10-20-22(21)15(3)24(29)33-20/h6,8,10,15,19-22,25H,7,9,11-12H2,1-5H3/b13-8+,14-10+,18-6-/t15-,19-,20+,21+,22-/m0/s1 | Synonyms: | Bound form of Eupalinolide B | Definition date: | 2020-07-03 | Last modified: | 2022-08-19 | Release date: | 2022-08-24 | Identifier: | [(3~{S},3~{a}~{R},4~{R},6~{Z},9~{S},10~{E},11~{a}~{R})-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3~{a},4,5,8,9,11~{a}-hexahydro-3~{H}-cyclodeca[b]furan-4-yl] (~{E})-2-methyl-4-oxidanyl-but-2-enoate |
|
| PQF | Name: | 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | Formula: | C30 H32 F N5 O2 | SMILES: | CC(C)(O)c1cc2n(c3cc(cnc3c2cc1F)c1c(C)nnn1C)C(C1CCOCC1)c1ccccc1 | InChi: | InChI=1S/C30H32FN5O2/c1-18-28(35(4)34-33-18)21-14-26-27(32-17-21)22-15-24(31)23(30(2,3)37)16-25(22)36(26)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1 | Definition date: | 2022-05-29 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | 2-{(3M)-3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol |
|
| R63 | Name: | methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate | Formula: | C17 H18 N2 O4 | SMILES: | O=C(OC)c1ncc2[NH]c3cc(OC)c(OC)cc3c2c1CC | InChi: | InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,19H,5H2,1-4H3 | Definition date: | 2022-06-20 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | methyl 4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylate |
|
| GJN | Name: | 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine | Formula: | C16 H12 N4 | SMILES: | Nc1nnc2c3ccccc3[NH]c2c1c1ccccc1 | InChi: | InChI=1S/C16H12N4/c17-16-13(10-6-2-1-3-7-10)15-14(19-20-16)11-8-4-5-9-12(11)18-15/h1-9,18H,(H2,17,20) | Definition date: | 2022-01-03 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | 4-phenyl-5H-pyridazino[4,3-b]indol-3-amine |
|
| 5I9 | Name: | ~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | Formula: | C28 H20 F2 N4 O4 | SMILES: | Fc1ccc(NC(=O)C2(CC2)C(=O)Nc3ccc(Oc4ccnc5Nc6ccccc6Oc45)c(F)c3)cc1 | InChi: | InChI=1S/C28H20F2N4O4/c29-16-5-7-17(8-6-16)32-26(35)28(12-13-28)27(36)33-18-9-10-21(19(30)15-18)37-23-11-14-31-25-24(23)38-22-4-2-1-3-20(22)34-25/h1-11,14-15H,12-13H2,(H,31,34)(H,32,35)(H,33,36) | Definition date: | 2021-08-18 | Last modified: | 2022-08-12 | Release date: | 2022-08-17 | Identifier: | ~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide |
|
| I61 | Name: | Inulanolide A | Formula: | C34 H44 O9 | SMILES: | CC(=O)OC1C2C(C)=C3CC4C(=C)C(=O)OC4CC(C)C31CC12C(=O)OC2CC(C)=C(C(O)C21)C(C)CCCOC(C)=O | InChi: | InChI=1S/C34H44O9/c1-15(9-8-10-40-20(6)35)26-16(2)11-25-28(29(26)37)34(32(39)43-25)14-33-17(3)12-24-22(18(4)31(38)42-24)13-23(33)19(5)27(34)30(33)41-21(7)36/h15,17,22,24-25,27-30,37H,4,8-14H2,1-3,5-7H3/t15-,17-,22+,24-,25+,27-,28+,29+,30-,33-,34-/m1/s1 | Definition date: | 2022-01-13 | Last modified: | 2022-08-05 | Release date: | 2022-08-10 | Identifier: | (4R)-4-[(3R,3aR,3'aS,4R,6'S,7aS,8'aR,9'R,10'aR,11'R)-11'-(acetyloxy)-4-hydroxy-5',6,9'-trimethyl-3'-methylidene-2,2'-dioxo-2',3',3a,3'a,4,4',6',7,7a,9',10',10'a-dodecahydro-2H,8'H-spiro[[1]benzofuran-3,7'-[6,8a]methanobenzo[4,5]cyclohepta[1,2-b]furan]-5-yl]pentyl acetate |
|
| QGR | Name: | (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide | Formula: | C19 H16 Br N5 O2 | SMILES: | NC(=O)c1c2nc3cc(Br)ccc3nc2n(c1N)c1c(C)ccc(O)c1C | InChi: | InChI=1S/C19H16BrN5O2/c1-8-3-6-13(26)9(2)16(8)25-17(21)14(18(22)27)15-19(25)24-11-5-4-10(20)7-12(11)23-15/h3-7,26H,21H2,1-2H3,(H2,22,27) | Definition date: | 2022-06-09 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (1P)-2-amino-6-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide |
|
| QGY | Name: | (1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide | Formula: | C19 H16 Br N5 O2 | SMILES: | NC(=O)c1c2nc3c(Br)cccc3nc2n(c1N)c1c(C)ccc(O)c1C | InChi: | InChI=1S/C19H16BrN5O2/c1-8-6-7-12(26)9(2)16(8)25-17(21)13(18(22)27)15-19(25)23-11-5-3-4-10(20)14(11)24-15/h3-7,26H,21H2,1-2H3,(H2,22,27) | Definition date: | 2022-06-09 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (1P)-2-amino-5-bromo-1-(3-hydroxy-2,6-dimethylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide |
|
| QG5 | Name: | (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide | Formula: | C18 H15 N5 O2 | SMILES: | NC(=O)c1c2nc3ccccc3nc2n(c1N)c1cc(O)ccc1C | InChi: | InChI=1S/C18H15N5O2/c1-9-6-7-10(24)8-13(9)23-16(19)14(17(20)25)15-18(23)22-12-5-3-2-4-11(12)21-15/h2-8,24H,19H2,1H3,(H2,20,25) | Definition date: | 2022-06-09 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (1M)-2-amino-1-(5-hydroxy-2-methylphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide |
|
| QGI | Name: | (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide | Formula: | C18 H20 N4 O2 | SMILES: | NC(=O)c1c2cc(C)c(C)nc2n(c1N)c1c(C)ccc(O)c1C | InChi: | InChI=1S/C18H20N4O2/c1-8-5-6-13(23)10(3)15(8)22-16(19)14(17(20)24)12-7-9(2)11(4)21-18(12)22/h5-7,23H,19H2,1-4H3,(H2,20,24) | Definition date: | 2022-06-09 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | (1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide |
|
| 4UI | Name: | 5-[[(2R)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide | Formula: | C22 H17 F N2 O2 S2 | SMILES: | ONC(=O)c1sc(Cn2c3C[CH](Sc3c4cc(F)ccc24)c5ccccc5)cc1 | InChi: | InChI=1S/C22H17FN2O2S2/c23-14-6-8-17-16(10-14)21-18(11-20(29-21)13-4-2-1-3-5-13)25(17)12-15-7-9-19(28-15)22(26)24-27/h1-10,20,27H,11-12H2,(H,24,26)/t20-/m1/s1 | Definition date: | 2021-07-07 | Last modified: | 2022-07-22 | Release date: | 2022-07-27 | Identifier: | 5-[[(2~{R})-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-~{N}-oxidanyl-thiophene-2-carboxamide |
|
| 4QU | Name: | 11-methyl-3-(pyridin-3-ylmethyl)-4H-pyrimido[5'',4'':5',6']pyrido[2',3':4,5]pyrimido[1,2-b]pyridine-4,6(3H)-dione | Formula: | C20 H14 N6 O2 | SMILES: | CC1=CC=CN2C(=O)c3cc4C(=O)N(Cc5cccnc5)C=Nc4nc3N=C12 | InChi: | InChI=1S/C20H14N6O2/c1-12-4-3-7-26-18(12)24-17-15(20(26)28)8-14-16(23-17)22-11-25(19(14)27)10-13-5-2-6-21-9-13/h2-9,11H,10H2,1H3 | Definition date: | 2021-08-03 | Last modified: | 2022-07-15 | Release date: | 2022-07-20 |
|
| 4VX | Name: | 5-[[(2R)-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide | Formula: | C22 H17 Br N2 O2 S2 | SMILES: | ONC(=O)c1sc(Cn2c3C[CH](Sc3c4cc(Br)ccc24)c5ccccc5)cc1 | InChi: | InChI=1S/C22H17BrN2O2S2/c23-14-6-8-17-16(10-14)21-18(11-20(29-21)13-4-2-1-3-5-13)25(17)12-15-7-9-19(28-15)22(26)24-27/h1-10,20,27H,11-12H2,(H,24,26)/t20-/m1/s1 | Definition date: | 2021-07-07 | Last modified: | 2022-07-15 | Release date: | 2022-07-20 | Identifier: | 5-[[(2~{R})-7-bromanyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-~{N}-oxidanyl-thiophene-2-carboxamide |
|
| 86I | Name: | 6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl)methyl]-2-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole | Formula: | C25 H22 N8 S | SMILES: | CCCc1nc2n(Cc3ccc4nc(sc4c3)c5ccccc5c6[nH]nnn6)ccc(C)c2n1 | InChi: | InChI=1S/C25H22N8S/c1-3-6-21-27-22-15(2)11-12-33(24(22)28-21)14-16-9-10-19-20(13-16)34-25(26-19)18-8-5-4-7-17(18)23-29-31-32-30-23/h4-5,7-13H,3,6,14H2,1-2H3,(H,29,30,31,32) | Definition date: | 2022-03-03 | Last modified: | 2022-07-15 | Release date: | 2022-07-20 | Identifier: | 6-[(7-methyl-2-propyl-imidazo[4,5-b]pyridin-4-yl)methyl]-2-[2-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]-1,3-benzothiazole |
|
| WW1 | Name: | 3-{[(2R)-2-phenylpropyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole | Formula: | C12 H13 N5 S | SMILES: | c3nc1n(c(nn1)SCC(c2ccccc2)C)n3 | InChi: | InChI=1S/C12H13N5S/c1-9(10-5-3-2-4-6-10)7-18-12-16-15-11-13-8-14-17(11)12/h2-6,8-9H,7H2,1H3,(H,13,14,15)/t9-/m0/s1 | Definition date: | 2020-11-17 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 3-{[(2R)-2-phenylpropyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole |
|
| WYA | Name: | 3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one | Formula: | C14 H12 N8 O | SMILES: | c3c(N(C)Cc1n2c(nn1)C(=O)NC=C2)nc4c(c3)nccn4 | InChi: | InChI=1S/C14H12N8O/c1-21(10-3-2-9-12(18-10)16-5-4-15-9)8-11-19-20-13-14(23)17-6-7-22(11)13/h2-7H,8H2,1H3,(H,17,23) | Definition date: | 2020-11-17 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one |
|
| WYJ | Name: | [(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol | Formula: | C16 H18 N4 O2 | SMILES: | c4cc2c(c1c(ncnc1n2)N3CC(C)OC(CO)C3)cc4 | InChi: | InChI=1S/C16H18N4O2/c1-10-6-20(7-11(8-21)22-10)16-14-12-4-2-3-5-13(12)19-15(14)17-9-18-16/h2-5,9-11,21H,6-8H2,1H3,(H,17,18,19)/t10-,11+/m1/s1 | Definition date: | 2020-11-17 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | [(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol |
|
| S50 | Name: | 1-cyclopentyl-3-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-5-sulfonamide | Formula: | C16 H19 N5 O2 S | SMILES: | O=S(=O)(Nc1cc2cc[NH]c2nc1)c1cc(C)nn1C1CCCC1 | InChi: | InChI=1S/C16H19N5O2S/c1-11-8-15(21(19-11)14-4-2-3-5-14)24(22,23)20-13-9-12-6-7-17-16(12)18-10-13/h6-10,14,20H,2-5H2,1H3,(H,17,18) | Definition date: | 2022-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | 1-cyclopentyl-3-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-5-sulfonamide |
|
| S63 | Name: | (3R)-1-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid | Formula: | C15 H16 Cl N3 O3 | SMILES: | CC1(CCN(C1)C(=O)Cc1c[NH]c2nccc(Cl)c21)C(=O)O | InChi: | InChI=1S/C15H16ClN3O3/c1-15(14(21)22)3-5-19(8-15)11(20)6-9-7-18-13-12(9)10(16)2-4-17-13/h2,4,7H,3,5-6,8H2,1H3,(H,17,18)(H,21,22)/t15-/m1/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | (3R)-1-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid |
|
| RWQ | Name: | [(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]methanol | Formula: | C16 H17 F N4 O | SMILES: | Fc1ccc2c3c(ncnc3[NH]c2c1)N1CCCC(CO)C1 | InChi: | InChI=1S/C16H17FN4O/c17-11-3-4-12-13(6-11)20-15-14(12)16(19-9-18-15)21-5-1-2-10(7-21)8-22/h3-4,6,9-10,22H,1-2,5,7-8H2,(H,18,19,20)/t10-/m1/s1 | Definition date: | 2022-06-23 | Last modified: | 2022-07-08 | Release date: | 2022-07-13 | Identifier: | [(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]methanol |
|
| QVC | Name: | (4P)-4-[(4M)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-pyrrolo[2,3-b]pyridine | Formula: | C15 H11 N5 O | SMILES: | Cc1nc(on1)c1cc(ncc1)c1ccnc2[NH]ccc21 | InChi: | InChI=1S/C15H11N5O/c1-9-19-15(21-20-9)10-2-5-16-13(8-10)11-3-6-17-14-12(11)4-7-18-14/h2-8H,1H3,(H,17,18) | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (4P)-4-[(4M)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-pyrrolo[2,3-b]pyridine |
|
| QVL | Name: | N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide | Formula: | C11 H11 N7 O | SMILES: | O=C(N(C)c1nnn[NH]1)c1cc2c(C)c[NH]c2nc1 | InChi: | InChI=1S/C11H11N7O/c1-6-4-12-9-8(6)3-7(5-13-9)10(19)18(2)11-14-16-17-15-11/h3-5H,1-2H3,(H,12,13)(H,14,15,16,17) | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide |
|
| QIO | Name: | (2R)-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl](hydroxy)acetic acid | Formula: | C17 H17 F N4 O3 | SMILES: | O=C(O)C(O)C1CCCN(C1)c1ncnc2[NH]c3cc(F)ccc3c12 | InChi: | InChI=1S/C17H17FN4O3/c18-10-3-4-11-12(6-10)21-15-13(11)16(20-8-19-15)22-5-1-2-9(7-22)14(23)17(24)25/h3-4,6,8-9,14,23H,1-2,5,7H2,(H,24,25)(H,19,20,21)/t9-,14-/m1/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (2R)-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl](hydroxy)acetic acid |
|
| QIR | Name: | (2S)-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl](hydroxy)acetic acid | Formula: | C17 H17 F N4 O3 | SMILES: | O=C(O)C(O)C1CCCN(C1)c1ncnc2[NH]c3cc(F)ccc3c12 | InChi: | InChI=1S/C17H17FN4O3/c18-10-3-4-11-12(6-10)21-15-13(11)16(20-8-19-15)22-5-1-2-9(7-22)14(23)17(24)25/h3-4,6,8-9,14,23H,1-2,5,7H2,(H,24,25)(H,19,20,21)/t9-,14+/m1/s1 | Definition date: | 2022-06-14 | Last modified: | 2022-07-01 | Release date: | 2022-07-06 | Identifier: | (2S)-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl](hydroxy)acetic acid |
|