 | | SOU | | Name: | [(2E)-3,7-dimethylocta-2,6-dienyl] ethanoate | | Formula: | C12 H20 O2 | | SMILES: | CC(=O)OCC=C(C)CCC=C(C)C | | InChi: | InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+ | | Definition date: | 2023-04-13 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | [(2~{E})-3,7-dimethylocta-2,6-dienyl] ethanoate |
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 | | YI7 | | Name: | (3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid | | Formula: | C39 H44 Cl F N4 O5 | | SMILES: | Fc1ccc2c(c1)cccc2OCCCc1c2ccc(Cl)c3c4c(CC)n(C)nc4C(CCN4CCOCC4)OCCCCn(c1C(=O)O)c23 | | InChi: | InChI=1S/C39H44ClFN4O5/c1-3-31-35-34-30(40)14-13-29-28(9-7-21-49-32-10-6-8-25-24-26(41)11-12-27(25)32)38(39(46)47)45(37(29)34)16-4-5-20-50-33(36(35)42-43(31)2)15-17-44-18-22-48-23-19-44/h6,8,10-14,24,33H,3-5,7,9,15-23H2,1-2H3,(H,46,47)/t33-/m1/s1 | | Definition date: | 2023-06-19 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | (3aM,9S,15R)-4-chloro-3-ethyl-7-{3-[(6-fluoronaphthalen-1-yl)oxy]propyl}-2-methyl-15-[2-(morpholin-4-yl)ethyl]-2,10,11,12,13,15-hexahydropyrazolo[4',3':9,10][1,6]oxazacycloundecino[8,7,6-hi]indole-8-carboxylic acid |
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 | | Z5X | | Name: | 2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate | | Formula: | C20 H16 F7 N3 O3 | | SMILES: | CN1CCN(c2cc(cc(c2OC(=O)N(C)c2ccc(F)cc2)C(F)(F)F)C(F)(F)F)C1=O | | InChi: | InChI=1S/C20H16F7N3O3/c1-28-7-8-30(17(28)31)15-10-11(19(22,23)24)9-14(20(25,26)27)16(15)33-18(32)29(2)13-5-3-12(21)4-6-13/h3-6,9-10H,7-8H2,1-2H3 | | Definition date: | 2023-03-06 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | 2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate |
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 | | USX | | Name: | 2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide | | Formula: | C20 H20 N2 O5 | | SMILES: | COc1cc(C[CH]2N(C(C)=O)c3ccccc3C2=O)ccc1OCC(N)=O | | InChi: | InChI=1S/C20H20N2O5/c1-12(23)22-15-6-4-3-5-14(15)20(25)16(22)9-13-7-8-17(18(10-13)26-2)27-11-19(21)24/h3-8,10,16H,9,11H2,1-2H3,(H2,21,24)/t16-/m0/s1 | | Definition date: | 2023-06-19 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | 2-[4-[[(2~{S})-1-ethanoyl-3-oxidanylidene-2~{H}-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide |
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 | | G3Y | | Name: | (1~{R},2~{S},3~{S},4~{R},5~{S})-2-azanyl-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol | | Formula: | C12 H15 N O3 S | | SMILES: | N[CH]1[CH]2CO[CH](O2)[CH](Sc3ccccc3)[CH]1O | | InChi: | InChI=1S/C12H15NO3S/c13-9-8-6-15-12(16-8)11(10(9)14)17-7-4-2-1-3-5-7/h1-5,8-12,14H,6,13H2/t8-,9+,10-,11+,12-/m0/s1 | | Definition date: | 2021-12-16 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | (1~{R},2~{S},3~{S},4~{R},5~{S})-2-azanyl-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol |
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 | | I1R | | Name: | 4-chloranyl-~{N}-[4-[5-[[(3~{S})-1-[(3-fluoranyl-2-methyl-phenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzamide | | Formula: | C29 H28 Cl F N4 O2 | | SMILES: | Cc1c(F)cccc1CN2CCC[CH](C2)Cc3onc(n3)c4ccc(NC(=O)c5ccc(Cl)cc5)cc4 | | InChi: | InChI=1S/C29H28ClFN4O2/c1-19-23(5-2-6-26(19)31)18-35-15-3-4-20(17-35)16-27-33-28(34-37-27)21-9-13-25(14-10-21)32-29(36)22-7-11-24(30)12-8-22/h2,5-14,20H,3-4,15-18H2,1H3,(H,32,36)/t20-/m0/s1 | | Definition date: | 2023-07-25 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | 4-chloranyl-~{N}-[4-[5-[[(3~{S})-1-[(3-fluoranyl-2-methyl-phenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzamide |
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 | | LRL | | Name: | ~{N}-[[(2~{S},5~{R})-5-(4-pyridin-3-ylphenyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide | | Formula: | C25 H24 N4 O2 S | | SMILES: | O=[S](=O)(NC[CH]1CC[CH](N1)c2ccc(cc2)c3cccnc3)c4cccc5cnccc45 | | InChi: | InChI=1S/C25H24N4O2S/c30-32(31,25-5-1-3-21-16-27-14-12-23(21)25)28-17-22-10-11-24(29-22)19-8-6-18(7-9-19)20-4-2-13-26-15-20/h1-9,12-16,22,24,28-29H,10-11,17H2/t22-,24+/m0/s1 | | Definition date: | 2022-07-11 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | ~{N}-[[(2~{S},5~{R})-5-(4-pyridin-3-ylphenyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide |
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 | | 7IO | | Name: | 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine | | Formula: | C26 H22 N4 O | | SMILES: | C1CN(CCN1)c2ccc(cc2)c3cnc4c(occ4c5ccnc6ccccc56)c3 | | InChi: | InChI=1S/C26H22N4O/c1-2-4-24-22(3-1)21(9-10-28-24)23-17-31-25-15-19(16-29-26(23)25)18-5-7-20(8-6-18)30-13-11-27-12-14-30/h1-10,15-17,27H,11-14H2 | | Definition date: | 2023-07-12 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | 6-(4-piperazin-1-ylphenyl)-3-quinolin-4-yl-furo[3,2-b]pyridine |
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 | | NI4 | | Name: | (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one | | Formula: | C22 H23 N3 O2 | | SMILES: | CN(CCO)c1ccc(cc1)C=C2N=C(C=Cc3ccccc3)N(C)C2=O | | InChi: | InChI=1S/C22H23N3O2/c1-24(14-15-26)19-11-8-18(9-12-19)16-20-22(27)25(2)21(23-20)13-10-17-6-4-3-5-7-17/h3-13,16,26H,14-15H2,1-2H3/b13-10+,20-16- | | Definition date: | 2023-01-17 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | (5~{Z})-5-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]-3-methyl-2-[(~{E})-2-phenylethenyl]imidazol-4-one |
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 | | NJL | | Name: | (5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one | | Formula: | C19 H14 F2 N2 O3 | | SMILES: | CN1C(=O)C(=Cc2cc(F)c(O)c(F)c2)N=C1C=Cc3ccc(O)cc3 | | InChi: | InChI=1S/C19H14F2N2O3/c1-23-17(7-4-11-2-5-13(24)6-3-11)22-16(19(23)26)10-12-8-14(20)18(25)15(21)9-12/h2-10,24-25H,1H3/b7-4+,16-10- | | Definition date: | 2023-01-17 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | (5~{Z})-5-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methylidene]-2-[(~{E})-2-(4-hydroxyphenyl)ethenyl]-3-methyl-imidazol-4-one |
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 | | A1IA5 | | Name: | 2-(4-chlorophenyl)-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid | | Formula: | C11 H7 Cl N2 O4 | | SMILES: | OC(=O)C1=C(O)C(=O)NC(=N1)c2ccc(Cl)cc2 | | InChi: | InChI=1S/C11H7ClN2O4/c12-6-3-1-5(2-4-6)9-13-7(11(17)18)8(15)10(16)14-9/h1-4,15H,(H,17,18)(H,13,14,16) | | Definition date: | 2024-05-10 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | 2-(4-chlorophenyl)-5-oxidanyl-6-oxidanylidene-1~{H}-pyrimidine-4-carboxylic acid |
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 | | A1IA6 | | Name: | 2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid | | Formula: | C15 H10 N2 O4 | | SMILES: | OC(=O)C1=C(O)C(=O)NC(=N1)c2ccc3ccccc3c2 | | InChi: | InChI=1S/C15H10N2O4/c18-12-11(15(20)21)16-13(17-14(12)19)10-6-5-8-3-1-2-4-9(8)7-10/h1-7,18H,(H,20,21)(H,16,17,19) | | Definition date: | 2024-05-10 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | 2-naphthalen-2-yl-5-oxidanyl-6-oxidanylidene-1~{H}-pyrimidine-4-carboxylic acid |
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 | | A1IBM | | Name: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-5-methyl-1-[(1~{R},2~{R})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol | | Formula: | C34 H56 O4 | | SMILES: | CC(C)(O)CCC[CH]([CH]1C[CH]1CCC(C)(C)O)[CH]2CC[CH]3C(CCC[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C | | InChi: | InChI=1S/C34H56O4/c1-22-24(19-26(35)21-31(22)36)12-11-23-9-7-17-34(6)29(23)13-14-30(34)27(10-8-16-32(2,3)37)28-20-25(28)15-18-33(4,5)38/h11-12,25-31,35-38H,1,7-10,13-21H2,2-6H3/b23-11+,24-12-/t25-,26+,27+,28-,29+,30-,31+,34+/m1/s1 | | Definition date: | 2024-05-14 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(1~{S})-5-methyl-1-[(1~{R},2~{R})-2-(3-methyl-3-oxidanyl-butyl)cyclopropyl]-5-oxidanyl-hexyl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
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 | | A1L16 | | Name: | (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol | | Formula: | C15 H15 N O | | SMILES: | CC(C)[C]1(O)c2ccccc2c3ncccc13 | | InChi: | InChI=1S/C15H15NO/c1-10(2)15(17)12-7-4-3-6-11(12)14-13(15)8-5-9-16-14/h3-10,17H,1-2H3/t15-/m1/s1 | | Definition date: | 2024-05-29 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol |
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 | | A1L17 | | Name: | methyl (9~{R})-9-oxidanyl-9-(trifluoromethyl)fluorene-4-carboxylate | | Formula: | C16 H11 F3 O3 | | SMILES: | COC(=O)c1cccc2c1c3ccccc3[C]2(O)C(F)(F)F | | InChi: | InChI=1S/C16H11F3O3/c1-22-14(20)10-6-4-8-12-13(10)9-5-2-3-7-11(9)15(12,21)16(17,18)19/h2-8,21H,1H3/t15-/m1/s1 | | Definition date: | 2024-05-29 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | methyl (9~{R})-9-oxidanyl-9-(trifluoromethyl)fluorene-4-carboxylate |
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 | | AJO | | Name: | N~2~-(cyanomethyl)-N~2~-methyl-N-(6-methylpyridin-2-yl)glycinamide | | Formula: | C11 H14 N4 O | | SMILES: | O=C(Nc1cccc(C)n1)CN(C)CC#N | | InChi: | InChI=1S/C11H14N4O/c1-9-4-3-5-10(13-9)14-11(16)8-15(2)7-6-12/h3-5H,7-8H2,1-2H3,(H,13,14,16) | | Definition date: | 2021-11-09 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | N~2~-(cyanomethyl)-N~2~-methyl-N-(6-methylpyridin-2-yl)glycinamide |
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 | | A1AEU | | Name: | 1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one | | Formula: | C20 H25 F3 N2 O2 | | SMILES: | FC(F)(F)c1cc2C(=O)C3(CCN(CC3)CC3CCOCC3)N(C)c2cc1 | | InChi: | InChI=1S/C20H25F3N2O2/c1-24-17-3-2-15(20(21,22)23)12-16(17)18(26)19(24)6-8-25(9-7-19)13-14-4-10-27-11-5-14/h2-3,12,14H,4-11,13H2,1H3 | | Definition date: | 2024-02-15 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | 1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one |
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 | | A1AEV | | Name: | 1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione | | Formula: | C21 H26 F3 N3 O3 | | SMILES: | FC(F)(F)c1ccc(cc1)N1C(=O)C2(CCN(CC2)CC2CCOCC2)N(C)C1=O | | InChi: | InChI=1S/C21H26F3N3O3/c1-25-19(29)27(17-4-2-16(3-5-17)21(22,23)24)18(28)20(25)8-10-26(11-9-20)14-15-6-12-30-13-7-15/h2-5,15H,6-14H2,1H3 | | Definition date: | 2024-02-15 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | 1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione |
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 | | A1AFC | | Name: | 2,4,5-trimethyl-1,3-thiazole | | Formula: | C6 H9 N S | | SMILES: | Cc1sc(C)nc1C | | InChi: | InChI=1S/C6H9NS/c1-4-5(2)8-6(3)7-4/h1-3H3 | | Definition date: | 2024-02-22 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | 2,4,5-trimethyl-1,3-thiazole |
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 | | A1ASN | | Name: | [(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)methoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | | Formula: | C31 H34 N2 O3 | | SMILES: | CCCN1CC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1 | | InChi: | InChI=1S/C31H34N2O3/c1-2-16-32-19-22(20-32)21-36-27-11-8-23(9-12-27)29-28-13-10-26(34)17-25(28)18-31(14-15-31)33(29)30(35)24-6-4-3-5-7-24/h3-13,17,22,29,34H,2,14-16,18-21H2,1H3/t29-/m1/s1 | | Definition date: | 2024-05-20 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | [(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)methoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
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 | | A1AU0 | | Name: | (2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid | | Formula: | C19 H23 N O4 | | SMILES: | O=C(O)C(Oc1ccccc1)CNC(=O)C1CC2CCC1C12CC1 | | InChi: | InChI=1S/C19H23NO4/c21-17(14-10-12-6-7-15(14)19(12)8-9-19)20-11-16(18(22)23)24-13-4-2-1-3-5-13/h1-5,12,14-16H,6-11H2,(H,20,21)(H,22,23)/t12-,14?,15-,16+/m0/s1 | | Definition date: | 2024-06-12 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | (2R)-2-phenoxy-3-{[(1S,2S,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-carbonyl]amino}propanoic acid |
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 | | A1AU1 | | Name: | 3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide | | Formula: | C15 H9 Cl2 F N2 O3 S | | SMILES: | Clc1cc(c(O)c(Cl)c1)S(=O)(=O)Nc1ccc(F)c2cnccc21 | | InChi: | InChI=1S/C15H9Cl2FN2O3S/c16-8-5-11(17)15(21)14(6-8)24(22,23)20-13-2-1-12(18)10-7-19-4-3-9(10)13/h1-7,20-21H | | Definition date: | 2024-06-12 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | 3,5-dichloro-N-(8-fluoroisoquinolin-5-yl)-2-hydroxybenzene-1-sulfonamide |
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 | | A1AU5 | | Name: | N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide | | Formula: | C16 H15 Cl N2 O4 S | | SMILES: | Clc1cccc(c1O)S(=O)(=O)Nc1cccc2c1CCN2C(C)=O | | InChi: | InChI=1S/C16H15ClN2O4S/c1-10(20)19-9-8-11-13(5-3-6-14(11)19)18-24(22,23)15-7-2-4-12(17)16(15)21/h2-7,18,21H,8-9H2,1H3 | | Definition date: | 2024-06-13 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide |
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 | | A1AUT | | Name: | 3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide | | Formula: | C14 H10 Cl2 N2 O3 S2 | | SMILES: | Clc1cccc(c1O)S(=O)(=O)Nc1cc2sc(C)nc2cc1Cl | | InChi: | InChI=1S/C14H10Cl2N2O3S2/c1-7-17-11-5-9(16)10(6-12(11)22-7)18-23(20,21)13-4-2-3-8(15)14(13)19/h2-6,18-19H,1H3 | | Definition date: | 2024-06-10 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | 3-chloro-N-(5-chloro-2-methyl-1,3-benzothiazol-6-yl)-2-hydroxybenzene-1-sulfonamide |
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 | | A1AUZ | | Name: | N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide | | Formula: | C12 H9 Cl N4 O4 S2 | | SMILES: | CC=1ONC(=O)C=1S(=O)(=O)Nc1cccc(c1)c1nnsc1Cl | | InChi: | InChI=1S/C12H9ClN4O4S2/c1-6-10(12(18)15-21-6)23(19,20)16-8-4-2-3-7(5-8)9-11(13)22-17-14-9/h2-5,16H,1H3,(H,15,18) | | Definition date: | 2024-06-12 | | Last modified: | 2024-06-14 | | Release date: | 2024-06-19 | | Identifier: | N-[(3M)-3-(5-chloro-1,2,3-thiadiazol-4-yl)phenyl]-5-methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-sulfonamide |
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