 | | A1AMZ | | Name: | (4R)-imidazo[1,2-b]pyridazine-3-sulfonamide | | Formula: | C6 H6 N4 O2 S | | SMILES: | NS(=O)(=O)c1cnc2cccnn12 | | InChi: | InChI=1S/C6H6N4O2S/c7-13(11,12)6-4-8-5-2-1-3-9-10(5)6/h1-4H,(H2,7,11,12) | | Definition date: | 2024-04-15 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (4R)-imidazo[1,2-b]pyridazine-3-sulfonamide |
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 | | VI1 | | Name: | (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid | | Formula: | C20 H27 N O5 S | | SMILES: | O=C(O)C1CCCCC1C(=O)Nc1sc2CCCCCCc2c1C(=O)OC | | InChi: | InChI=1S/C20H27NO5S/c1-26-20(25)16-14-10-4-2-3-5-11-15(14)27-18(16)21-17(22)12-8-6-7-9-13(12)19(23)24/h12-13H,2-11H2,1H3,(H,21,22)(H,23,24)/t12-,13-/m1/s1 | | Definition date: | 2023-09-12 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid |
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 | | V83 | | Name: | (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid | | Formula: | C19 H23 N O5 S | | SMILES: | O=C(O)C1CC=CCC1C(=O)Nc1sc2CCCCCc2c1C(=O)OC | | InChi: | InChI=1S/C19H23NO5S/c1-25-19(24)15-13-9-3-2-4-10-14(13)26-17(15)20-16(21)11-7-5-6-8-12(11)18(22)23/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,21)(H,22,23)/t11-,12-/m1/s1 | | Definition date: | 2023-09-11 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | (1R,6R)-6-{[3-(methoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
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 | | A1ALJ | | Name: | 1-[11-(dipyrrometheneboron difluoride)undecanoyl]-rac-glycerol | | Formula: | C27 H41 B F2 N2 O4 | | SMILES: | Cc1cc(C)c2n1[B-](F)(F)[N+]3=C(C)C=C(C)C3=C2CCCCCCCCCCC(=O)OC[CH](O)CO | | InChi: | InChI=1S/C27H41BF2N2O4/c1-19-15-21(3)31-26(19)24(27-20(2)16-22(4)32(27)28(31,29)30)13-11-9-7-5-6-8-10-12-14-25(35)36-18-23(34)17-33/h15-16,23,33-34H,5-14,17-18H2,1-4H3/t23-/m0/s1 | | Synonyms: | [(2~{S})-2,3-bis(oxidanyl)propyl] 11-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1$l^{4},3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]undecanoate | | Definition date: | 2024-04-09 | | Last modified: | 2024-04-12 | | Release date: | 2024-04-17 | | Identifier: | [(2~{S})-2,3-bis(oxidanyl)propyl] 11-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1$l^{4},3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-8-yl]undecanoate |
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 | | WOZ | | Name: | (6R,16R)-3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one | | Formula: | C27 H24 O7 | | SMILES: | Cc1cc(O)cc2OC3(C)Cc4cc5c(c(O)c4C(O3)c21)C(=O)c1c(cc(O)cc1O)C5(C)C | | InChi: | InChI=1S/C27H24O7/c1-11-5-13(28)9-18-19(11)25-20-12(10-27(4,33-18)34-25)6-15-22(23(20)31)24(32)21-16(26(15,2)3)7-14(29)8-17(21)30/h5-9,25,28-31H,10H2,1-4H3/t25-,27-/m0/s1 | | Definition date: | 2022-10-07 | | Last modified: | 2024-04-05 | | Release date: | 2024-04-10 | | Identifier: | (6R,16R)-3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one |
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 | | WXH | | Name: | (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide | | Formula: | C19 H17 F3 N4 O S | | SMILES: | FC(F)(F)CNC(=O)c1cc(cs1)c1cnc2[NH]c(cc2c1)C1=CCCNC1 | | InChi: | InChI=1S/C19H17F3N4OS/c20-19(21,22)10-25-18(27)16-6-14(9-28-16)13-4-12-5-15(26-17(12)24-8-13)11-2-1-3-23-7-11/h2,4-6,8-9,23H,1,3,7,10H2,(H,24,26)(H,25,27) | | Definition date: | 2023-05-22 | | Last modified: | 2024-03-22 | | Release date: | 2024-03-27 | | Identifier: | (4P)-4-[(2P)-2-(1,2,5,6-tetrahydropyridin-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide |
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 | | U7X | | Name: | 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one | | Formula: | C24 H19 F2 N5 O2 | | SMILES: | Cn1cc2cc(ccc2n1)C3=Cc4n[nH]c(C5CC5)c4N(C3=O)c6ccc(OC(F)F)cc6 | | InChi: | InChI=1S/C24H19F2N5O2/c1-30-12-15-10-14(4-9-19(15)29-30)18-11-20-22(21(28-27-20)13-2-3-13)31(23(18)32)16-5-7-17(8-6-16)33-24(25)26/h4-13,24H,2-3H2,1H3,(H,27,28) | | Definition date: | 2023-08-30 | | Last modified: | 2024-03-15 | | Release date: | 2024-03-20 | | Identifier: | 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one |
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 | | U8E | | Name: | 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(4-methoxyphenyl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one | | Formula: | C23 H19 F2 N3 O3 | | SMILES: | COc1ccc(cc1)C2=Cc3n[nH]c(C4CC4)c3N(C2=O)c5ccc(OC(F)F)cc5 | | InChi: | InChI=1S/C23H19F2N3O3/c1-30-16-8-4-13(5-9-16)18-12-19-21(20(27-26-19)14-2-3-14)28(22(18)29)15-6-10-17(11-7-15)31-23(24)25/h4-12,14,23H,2-3H2,1H3,(H,26,27) | | Definition date: | 2023-08-30 | | Last modified: | 2024-03-15 | | Release date: | 2024-03-20 | | Identifier: | 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(4-methoxyphenyl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one |
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 | | U8R | | Name: | 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one | | Formula: | C16 H13 F2 N3 O2 | | SMILES: | FC(F)Oc1ccc(cc1)N2C(=O)C=Cc3n[nH]c(C4CC4)c23 | | InChi: | InChI=1S/C16H13F2N3O2/c17-16(18)23-11-5-3-10(4-6-11)21-13(22)8-7-12-15(21)14(20-19-12)9-1-2-9/h3-9,16H,1-2H2,(H,19,20) | | Definition date: | 2023-08-30 | | Last modified: | 2024-03-15 | | Release date: | 2024-03-20 | | Identifier: | 4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one |
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 | | U96 | | Name: | 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one | | Formula: | C23 H20 N6 O | | SMILES: | Cn1cc2cc(ccc2n1)C3=Cc4n[nH]c(C5CC5)c4N(C3=O)c6ccc(C)nc6 | | InChi: | InChI=1S/C23H20N6O/c1-13-3-7-17(11-24-13)29-22-20(25-26-21(22)14-4-5-14)10-18(23(29)30)15-6-8-19-16(9-15)12-28(2)27-19/h3,6-12,14H,4-5H2,1-2H3,(H,25,26) | | Definition date: | 2023-08-30 | | Last modified: | 2024-03-15 | | Release date: | 2024-03-20 | | Identifier: | 3-cyclopropyl-6-(2-methylindazol-5-yl)-4-(6-methylpyridin-3-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one |
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 | | ZBL | | Name: | 8-chloro-11-(1-beta-D-glucopyranuronosylpiperidin-4-ylidene)-3-hydroxy-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine | | Formula: | C25 H27 Cl N2 O7 | | SMILES: | Clc1cc2CCc3cc(O)cnc3C(c2cc1)=C1/CCN(CC1)C1OC(C(O)C(O)C1O)C(=O)O | | InChi: | InChI=1S/C25H27ClN2O7/c26-15-3-4-17-13(9-15)1-2-14-10-16(29)11-27-19(14)18(17)12-5-7-28(8-6-12)24-22(32)20(30)21(31)23(35-24)25(33)34/h3-4,9-11,20-24,29-32H,1-2,5-8H2,(H,33,34)/t20-,21-,22+,23-,24+/m0/s1 | | Definition date: | 2023-03-08 | | Last modified: | 2024-03-15 | | Release date: | 2024-03-20 | | Identifier: | 8-chloro-11-(1-beta-D-glucopyranuronosylpiperidin-4-ylidene)-3-hydroxy-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine |
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 | | ZG5 | | Name: | 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine | | Formula: | C23 H25 N3 O6 S | | SMILES: | O=C(O)C1OC(C(O)C(O)C1O)N1CCN(CC1)C1=Nc2ccccc2Sc2ccccc21 | | InChi: | InChI=1S/C23H25N3O6S/c27-17-18(28)20(23(30)31)32-22(19(17)29)26-11-9-25(10-12-26)21-13-5-1-3-7-15(13)33-16-8-4-2-6-14(16)24-21/h1-8,17-20,22,27-29H,9-12H2,(H,30,31)/t17-,18-,19+,20-,22+/m0/s1 | | Definition date: | 2023-03-09 | | Last modified: | 2024-03-15 | | Release date: | 2024-03-20 | | Identifier: | 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine |
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 | | VBU | | Name: | 3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine | | Formula: | C18 H19 Cl N4 | | SMILES: | CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24 | | InChi: | InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | | Synonyms: | Clozapine | | Definition date: | 2023-07-14 | | Last modified: | 2024-03-15 | | Release date: | 2024-03-20 | | Identifier: | 3-chloranyl-6-(4-methylpiperazin-1-yl)-11~{H}-benzo[b][1,4]benzodiazepine |
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 | | VCF | | Name: | 2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine | | Formula: | C18 H18 Cl N3 O | | SMILES: | CN1CCN(CC1)C2=Nc3ccc(Cl)cc3Oc4ccccc24 | | InChi: | InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-4-2-3-5-16(14)23-17-12-13(19)6-7-15(17)20-18/h2-7,12H,8-11H2,1H3 | | Synonyms: | VUF-6884 | | Definition date: | 2023-07-14 | | Last modified: | 2024-03-15 | | Release date: | 2024-03-20 | | Identifier: | 2-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine |
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 | | A1H4R | | Name: | 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine | | Formula: | C16 H15 Cl2 N3 | | SMILES: | NCCCc1cnc2c([nH]cc2c3cccc(Cl)c3Cl)c1 | | InChi: | InChI=1S/C16H15Cl2N3/c17-13-5-1-4-11(15(13)18)12-9-20-14-7-10(3-2-6-19)8-21-16(12)14/h1,4-5,7-9,20H,2-3,6,19H2 | | Definition date: | 2024-02-15 | | Last modified: | 2024-03-15 | | Release date: | 2024-03-20 | | Identifier: | 3-[3-[2,3-bis(chloranyl)phenyl]-1~{H}-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine |
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 | | A1H4S | | Name: | 3-[2,3-bis(chloranyl)phenyl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine | | Formula: | C19 H20 Cl2 N4 | | SMILES: | Cc1nc2c([nH]cc2c3cccc(Cl)c3Cl)cc1CN4CCNCC4 | | InChi: | InChI=1S/C19H20Cl2N4/c1-12-13(11-25-7-5-22-6-8-25)9-17-19(24-12)15(10-23-17)14-3-2-4-16(20)18(14)21/h2-4,9-10,22-23H,5-8,11H2,1H3 | | Definition date: | 2024-02-15 | | Last modified: | 2024-03-15 | | Release date: | 2024-03-20 | | Identifier: | 3-[2,3-bis(chloranyl)phenyl]-5-methyl-6-(piperazin-1-ylmethyl)-1~{H}-pyrrolo[3,2-b]pyridine |
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 | | A1H4T | | Name: | (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine | | Formula: | C20 H20 Cl2 N4 | | SMILES: | N[CH]1C[CH]2CC[CH](C1)N2c3cnc4c([nH]cc4c5cccc(Cl)c5Cl)c3 | | InChi: | InChI=1S/C20H20Cl2N4/c21-17-3-1-2-15(19(17)22)16-10-24-18-8-14(9-25-20(16)18)26-12-4-5-13(26)7-11(23)6-12/h1-3,8-13,24H,4-7,23H2/t11-,12-,13+ | | Definition date: | 2024-02-15 | | Last modified: | 2024-03-15 | | Release date: | 2024-03-20 | | Identifier: | (1~{S},5~{R})-8-[3-[2,3-bis(chloranyl)phenyl]-1~{H}-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine |
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 | | Y59 | | Name: | 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one | | Formula: | C22 H24 N7 O | | SMILES: | Cc1cn2nc(cc(C)c2n1)C3=CC(=O)[n]4cc(ccc4N3)N5CCNC6(CC6)C5 | | InChi: | InChI=1S/C22H24N7O/c1-14-9-18(26-29-11-15(2)24-21(14)29)17-10-20(30)28-12-16(3-4-19(28)25-17)27-8-7-23-22(13-27)5-6-22/h3-4,9-12,23H,5-8,13H2,1-2H3,(H,25,30) | | Definition date: | 2023-11-21 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-1~{H}-pyrido[1,2-a]pyrimidin-4-one |
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 | | ZS5 | | Name: | (3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid | | Formula: | C13 H13 N O3 S | | SMILES: | O=C(O)C1CSC2(CCC(=O)N12)c1ccccc1 | | InChi: | InChI=1S/C13H13NO3S/c15-11-6-7-13(9-4-2-1-3-5-9)14(11)10(8-18-13)12(16)17/h1-5,10H,6-8H2,(H,16,17)/t10-,13+/m0/s1 | | Definition date: | 2023-07-03 | | Last modified: | 2024-03-01 | | Release date: | 2024-03-06 | | Identifier: | (3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid |
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 | | OY7 | | Name: | (4-ethanoylphenyl)boronic acid | | Formula: | C8 H9 B O3 | | SMILES: | CC(=O)c1ccc(cc1)B(O)O | | InChi: | InChI=1S/C8H9BO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5,11-12H,1H3 | | Synonyms: | 4-Acetylphenylboronic acid | | Definition date: | 2023-02-24 | | Last modified: | 2024-02-23 | | Release date: | 2024-02-28 | | Identifier: | (4-ethanoylphenyl)boronic acid |
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 | | YLI | | Name: | (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | | Formula: | C18 H17 Br N2 O2 S | | SMILES: | NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(Br)cc1 | | InChi: | InChI=1S/C18H17BrN2O2S/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(24(20,22)23)8-9-17(16)21-18/h1-2,4-10,14-15,18,21H,3H2,(H2,20,22,23)/t14-,15+,18+/m0/s1 | | Definition date: | 2023-12-05 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (3aR,4S,9bS)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide |
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 | | YLR | | Name: | (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide | | Formula: | C22 H20 N2 O2 S | | SMILES: | NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1cccc2ccccc21 | | InChi: | InChI=1S/C22H20N2O2S/c23-27(25,26)15-11-12-21-20(13-15)17-8-4-10-19(17)22(24-21)18-9-3-6-14-5-1-2-7-16(14)18/h1-9,11-13,17,19,22,24H,10H2,(H2,23,25,26)/t17-,19+,22+/m0/s1 | | Definition date: | 2023-12-05 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | (3aR,4S,9bS)-4-(naphthalen-1-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide |
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 | | UEF | | Name: | ~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide | | Formula: | C12 H15 N3 O S | | SMILES: | CC1(C)CC(C1)NC(=O)c2csc3cncn23 | | InChi: | InChI=1S/C12H15N3OS/c1-12(2)3-8(4-12)14-11(16)9-6-17-10-5-13-7-15(9)10/h5-8H,3-4H2,1-2H3,(H,14,16) | | Definition date: | 2023-02-02 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | ~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide |
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 | | ZWG | | Name: | N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide | | Formula: | C19 H22 N4 O | | SMILES: | CC(C)CC(N)C(=O)Nc1ccc(cc1)c1ccnc2[NH]ccc12 | | InChi: | InChI=1S/C19H22N4O/c1-12(2)11-17(20)19(24)23-14-5-3-13(4-6-14)15-7-9-21-18-16(15)8-10-22-18/h3-10,12,17H,11,20H2,1-2H3,(H,21,22)(H,23,24)/t17-/m1/s1 | | Definition date: | 2023-04-11 | | Last modified: | 2024-02-16 | | Release date: | 2024-02-21 | | Identifier: | N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide |
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 | | X5Z | | Name: | AZIDOBIS (DIMETHYLGLYOXIMATO) PYRIDINECOBALT | | Formula: | C15 H23 Co N8 O4 | | SMILES: | C=Cc1cc[n+](cc1)[Co]12(N=[N+]=[N-])(N(O)C(C)=C(C)N1O)N(O)C(C)=C(C)N2O | | InChi: | InChI=1S/C7H7N.2C4H8N2O2.Co.N3/c1-2-7-3-5-8-6-4-7 | | Definition date: | 2022-10-31 | | Last modified: | 2024-02-07 | | Release date: | 2022-11-23 | | Identifier: | azidobis[N~2~,N~3~-dihydroxybut-2-ene-2,3-diaminato(2-)-kappa~2~N,N'](4-ethenylpyridine)cobalt(1+) |
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