 | | 4VI | | Name: | (2Z,4E)-5-carbamimidamido-2-iminopent-4-enoic acid | | Formula: | C6 H10 N4 O2 | | SMILES: | N=C(CC=CNC(=N)N)C(=O)O | | InChi: | InChI=1S/C6H10N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h1,3,7H,2H2,(H,11,12)(H4,8,9,10)/b3-1+,7-4- | | Definition date: | 2021-07-15 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | (2Z,4E)-5-carbamimidamido-2-iminopent-4-enoic acid |
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 | | R2W | | Name: | 4-(3-(3-phenoxypropyl)thioureido)benzenesulfonamide | | Formula: | C16 H19 N3 O3 S2 | | SMILES: | N[S](=O)(=O)c1ccc(NC(=S)NCCCOc2ccccc2)cc1 | | InChi: | InChI=1S/C16H19N3O3S2/c17-24(20,21)15-9-7-13(8-10-15)19-16(23)18-11-4-12-22-14-5-2-1-3-6-14/h1-3,5-10H,4,11-12H2,(H2,17,20,21)(H2,18,19,23) | | Synonyms: | 1-(3-phenoxypropyl)-3-(4-sulfamoylphenyl)thiourea | | Definition date: | 2020-08-26 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 1-(3-phenoxypropyl)-3-(4-sulfamoylphenyl)thiourea |
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 | | R4H | | Name: | 2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one | | Formula: | C27 H34 N6 O3 | | SMILES: | COc1ccc(cc1OCc2ccc(cc2)c3[nH]nnn3)[CH]4NN(C5CCCCCC5)C(=O)C4(C)C | | InChi: | InChI=1S/C27H34N6O3/c1-27(2)24(30-33(26(27)34)21-8-6-4-5-7-9-21)20-14-15-22(35-3)23(16-20)36-17-18-10-12-19(13-11-18)25-28-31-32-29-25/h10-16,21,24,30H,4-9,17H2,1-3H3,(H,28,29,31,32)/t24-/m1/s1 | | Definition date: | 2020-09-01 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one |
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 | | R4T | | Name: | 9-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine | | Formula: | C20 H24 F2 N10 O8 P2 S2 | | SMILES: | [NH3+]c1ncnc2n(cnc12)[CH]3O[CH]4CO[P](S)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](S)(=O)O[CH]4[CH]3F)n6cnc7c([NH3+])ncnc67 | | InChi: | InChI=1S/C20H22F2N10O8P2S2/c21-9-13-7(37-19(9)31-5-29-11-15(23)25-3-27-17(11)31)1-35-41(33,43)40-14-8(2-36-42(34,44)39-13)38-20(10(14)22)32-6-30-12-16(24)26-4-28-18(12)32/h3-10,13-14,19-20H,1-2H2,(H,33,43)(H,34,44)(H2,23,25,27)(H2,24,26,28)/t7-,8-,9-,10-,13-,14-,19-,20-,41-,42-/m1/s1 | | Definition date: | 2020-09-02 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | [9-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-17-(6-azaniumylpurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-yl]azanium |
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 | | R5N | | Name: | Ni-substituted Keggin silicotungstate | | Formula: | Ni O39 Si W11 | | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O1[Si]23[O]45[W]678O[Ni]9%10O[W]%11%12O[W]1%13(O9)O[W]%14%15%16O[W]%17(O%10)(O6)O[W]%18(O%14)(O[W]4%19(O7)O[W]5(O%11)(O8)O[W]%20%21(O%12)O[W]%22(O%13)(O%15)O[W](O%20)(O%19)(O%18)[O]2%21%22)[O]3%16%17 | | InChi: | InChI=1S/Ni.O4Si.11H2O.24O.11W/c | | Definition date: | 2020-09-02 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 |
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 | | R5Q | | Name: | Co-substituted Keggin silicotungstate | | Formula: | Co O39 Si W11 | | SMILES: | O.O.O.O.O.O.O.O.O.O.O.O1[Si]23[O]45[W]678O[Co]9%10O[W]%11%12O[W]1%13(O9)O[W]%14%15%16O[W]%17(O%10)(O6)O[W]%18(O%14)(O[W]4%19(O7)O[W]5(O%11)(O8)O[W]%20%21(O%12)O[W]%22(O%13)(O%15)O[W](O%20)(O%19)(O%18)[O]2%21%22)[O]3%16%17 | | InChi: | InChI=1S/Co.O4Si.11H2O.24O.11W/c | | Definition date: | 2020-09-02 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 |
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 | | R5Z | | Name: | 1-cycloheptyl-3-[4-methoxy-3-(2-phenylethoxy)phenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one | | Formula: | C27 H34 N2 O3 | | SMILES: | COc1ccc(cc1OC=Cc2ccccc2)[CH]3NN(C4CCCCCC4)C(=O)C3(C)C | | InChi: | InChI=1S/C27H34N2O3/c1-27(2)25(28-29(26(27)30)22-13-9-4-5-10-14-22)21-15-16-23(31-3)24(19-21)32-18-17-20-11-7-6-8-12-20/h6-8,11-12,15-19,22,25,28H,4-5,9-10,13-14H2,1-3H3/b18-17+/t25-/m1/s1 | | Synonyms: | 2-cycloheptyl-5-[4-methoxy-3-[(~{E})-2-phenylethenoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one | | Definition date: | 2020-09-02 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 2-cycloheptyl-5-[4-methoxy-3-[(~{E})-2-phenylethenoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one |
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 | | R8W | | Name: | 7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid | | Formula: | C21 H20 N4 O2 | | SMILES: | CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(Cn4cncn4)cc3 | | InChi: | InChI=1S/C21H20N4O2/c1-13(2)16-4-3-5-17-18(20(21(26)27)24-19(16)17)15-8-6-14(7-9-15)10-25-12-22-11-23-25/h3-9,11-13,24H,10H2,1-2H3,(H,26,27) | | Definition date: | 2020-09-18 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 7-propan-2-yl-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid |
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 | | R9K | | Name: | 3-(2-chlorophenyl)-7-methyl-1~{H}-indole-2-carboxylic acid | | Formula: | C16 H12 Cl N O2 | | SMILES: | Cc1cccc2c1[nH]c(C(O)=O)c2c3ccccc3Cl | | InChi: | InChI=1S/C16H12ClNO2/c1-9-5-4-7-11-13(10-6-2-3-8-12(10)17)15(16(19)20)18-14(9)11/h2-8,18H,1H3,(H,19,20) | | Definition date: | 2020-09-21 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 3-(2-chlorophenyl)-7-methyl-1~{H}-indole-2-carboxylic acid |
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 | | RBW | | Name: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid | | Formula: | C20 H20 Cl N O4 S | | SMILES: | CC(C)c1cccc2c1[nH]c(C(O)=O)c2c3ccc(C[S](C)(=O)=O)c(Cl)c3 | | InChi: | InChI=1S/C20H20ClNO4S/c1-11(2)14-5-4-6-15-17(19(20(23)24)22-18(14)15)12-7-8-13(16(21)9-12)10-27(3,25)26/h4-9,11,22H,10H2,1-3H3,(H,23,24) | | Definition date: | 2020-09-23 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid |
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 | | RCK | | Name: | ~{N}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine | | Formula: | C25 H27 F N6 O S | | SMILES: | Fc1ccccc1CNc2nc(SCN3CCOCC3)nc4n(CCc5ccccc5)ncc24 | | InChi: | InChI=1S/C25H27FN6OS/c26-22-9-5-4-8-20(22)16-27-23-21-17-28-32(11-10-19-6-2-1-3-7-19)24(21)30-25(29-23)34-18-31-12-14-33-15-13-31/h1-9,17H,10-16,18H2,(H,27,29,30) | | Definition date: | 2020-09-24 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | ~{N}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine |
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 | | RDH | | Name: | 3-[(1-Carboxyvinyl)oxy]benzoic acid | | Formula: | C10 H8 O5 | | SMILES: | OC(=O)C(=C)Oc1cccc(c1)C(O)=O | | InChi: | InChI=1S/C10H8O5/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-5H,1H2,(H,11,12)(H,13,14) | | Synonyms: | 3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid | | Definition date: | 2020-09-25 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid |
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 | | RLW | | Name: | 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{H}-pyrazol-5-one | | Formula: | C17 H22 N2 O3 | | SMILES: | COc1ccc(cc1OC2CCCC2)C3=NNC(=O)C3(C)C | | InChi: | InChI=1S/C17H22N2O3/c1-17(2)15(18-19-16(17)20)11-8-9-13(21-3)14(10-11)22-12-6-4-5-7-12/h8-10,12H,4-7H2,1-3H3,(H,19,20) | | Definition date: | 2020-10-08 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{H}-pyrazol-5-one |
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 | | RYW | | Name: | (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide | | Formula: | C29 H31 Cl F N5 O5 | | SMILES: | COc1cc(F)cc(c1)[CH](CO)NC(=O)[CH](C)N2Cc3ccc(cc3C2=O)c4nc(NC5CCOCC5)ncc4Cl | | InChi: | InChI=1S/C29H31ClFN5O5/c1-16(27(38)34-25(15-37)19-9-20(31)12-22(10-19)40-2)36-14-18-4-3-17(11-23(18)28(36)39)26-24(30)13-32-29(35-26)33-21-5-7-41-8-6-21/h3-4,9-13,16,21,25,37H,5-8,14-15H2,1-2H3,(H,34,38)(H,32,33,35)/t16-,25-/m1/s1 | | Synonyms: | ASTX029 | | Definition date: | 2020-11-04 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide |
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 | | S7T | | Name: | 4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide | | Formula: | C19 H23 N3 O4 | | SMILES: | CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2cccc(CCC(=O)NO)c2 | | InChi: | InChI=1S/C19H23N3O4/c1-4-15-17(12(3)23)11(2)20-18(15)19(25)21-14-7-5-6-13(10-14)8-9-16(24)22-26/h5-7,10,20,26H,4,8-9H2,1-3H3,(H,21,25)(H,22,24) | | Synonyms: | 4-ethanoyl-3-ethyl-5-methyl-~{N}-[3-[3-(oxidanylamino)-3-oxidanylidene-propyl]phenyl]-1~{H}-pyrrole-2-carboxamide | | Definition date: | 2020-11-11 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 4-ethanoyl-3-ethyl-5-methyl-~{N}-[3-[3-(oxidanylamino)-3-oxidanylidene-propyl]phenyl]-1~{H}-pyrrole-2-carboxamide |
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 | | 5P9 | | Name: | N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide | | Formula: | C15 H11 Cl N2 O2 | | SMILES: | Clc1ccc(NC(=O)[CH]2CC(=O)c3ccccc23)nc1 | | InChi: | InChI=1S/C15H11ClN2O2/c16-9-5-6-14(17-8-9)18-15(20)12-7-13(19)11-4-2-1-3-10(11)12/h1-6,8,12H,7H2,(H,17,18,20)/t12-/m1/s1 | | Synonyms: | (1~{R})-~{N}-(5-chloranylpyridin-2-yl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide | | Definition date: | 2021-07-14 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | (1~{R})-~{N}-(5-chloranylpyridin-2-yl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide |
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 | | 0BK | | Name: | N-{3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide | | Formula: | C20 H23 F2 N5 O4 S | | SMILES: | FCC1(CCC(C)(C(N)=N1)S(C)(=O)=O)c1cc(NC(=O)c2cc(OC)ncn2)ccc1F | | InChi: | InChI=1S/C20H23F2N5O4S/c1-19(32(3,29)30)6-7-20(10-21,27-18(19)23)13-8-12(4-5-14(13)22)26-17(28)15-9-16(31-2)25-11-24-15/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,23,27)(H,26,28)/t19-,20-/m1/s1 | | Definition date: | 2021-06-07 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | N-{3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide |
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 | | 0EW | | Name: | N-{3-[(2S,5R)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2H-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide | | Formula: | C22 H22 F4 N4 O5 S | | SMILES: | CCS(=O)(=O)C1(C)CCC(CF)(N=C1N)c1cc(ccc1F)NC(=O)c1cc2OC(F)(F)Oc2cn1 | | InChi: | InChI=1S/C22H22F4N4O5S/c1-3-36(32,33)20(2)6-7-21(11-23,30-19(20)27)13-8-12(4-5-14(13)24)29-18(31)15-9-16-17(10-28-15)35-22(25,26)34-16/h4-5,8-10H,3,6-7,11H2,1-2H3,(H2,27,30)(H,29,31)/t20-,21-/m1/s1 | | Definition date: | 2021-06-08 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | N-{3-[(2S,5R)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2H-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide |
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 | | BM8 | | Name: | 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline | | Formula: | C14 H12 N2 S | | SMILES: | Cc1cc(ccc1N)c2sc3ccccc3n2 | | InChi: | InChI=1S/C14H12N2S/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3 | | Definition date: | 2017-10-10 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline |
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 | | 8JI | | Name: | N-succinyl-L-phenylglycine | | Formula: | C12 H13 N O5 | | SMILES: | O=C(O)CCC(=O)NC(C(=O)O)c1ccccc1 | | InChi: | InChI=1S/C12H13NO5/c14-9(6-7-10(15)16)13-11(12(17)18)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,13,14)(H,15,16)(H,17,18)/t11-/m0/s1 | | Definition date: | 2021-09-21 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 | | Identifier: | 4-{[(S)-carboxy(phenyl)methyl]amino}-4-oxobutanoic acid |
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 | | 8U2 | | Name: | 2-{1-[4-(12-Amino-3-chloro-6,7,10,11-tetrahydro-7,11-methanocycloocta[b]quinolin-9-yl)butyl]-1H-1,2,3-triazol-4-yl}-N-[4-hydroxy-3-methoxybenzyl]acetamide | | Formula: | C32 H37 Cl N6 O3 | | SMILES: | COc1cc(CNC(=O)Cc2cn(CCCC[CH]3C[CH]4C[CH](C3)c5c(N)c6ccc(Cl)cc6nc5C4)nn2)ccc1O | | InChi: | InChI=1S/C32H37ClN6O3/c1-42-29-14-20(5-8-28(29)40)17-35-30(41)16-24-18-39(38-37-24)9-3-2-4-19-10-21-12-22(11-19)31-27(13-21)36-26-15-23(33)6-7-25(26)32(31)34/h5-8,14-15,18-19,21-22,40H,2-4,9-13,16-17H2,1H3,(H2,34,36)(H,35,41)/t19-,21+,22-/m1/s1 | | Definition date: | 2017-03-09 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 |
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 | | 8U5 | | Name: | E)-10-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)-6-decenamide | | Formula: | C35 H46 Cl N3 O3 | | SMILES: | COc1cc(CNC(=O)CCCCCCCCCNc2c3ccc(Cl)cc3nc4C[CH]5C[CH](C)C[CH](C5)c24)ccc1O | | InChi: | InChI=1S/C35H46ClN3O3/c1-23-16-25-18-26(17-23)34-30(19-25)39-29-21-27(36)12-13-28(29)35(34)37-15-9-7-5-3-4-6-8-10-33(41)38-22-24-11-14-31(40)32(20-24)42-2/h11-14,20-21,23,25-26,40H,3-10,15-19,22H2,1-2H3,(H,37,39)(H,38,41)/t23-,25-,26+/m0/s1 | | Definition date: | 2017-03-09 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 |
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 | | 8UE | | Name: | 4-{[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]methyl}-N-(4-hydroxy-3-methoxybenzyl)benzamide | | Formula: | C34 H34 Cl N3 O3 | | SMILES: | COc1cc(CNC(=O)Cc2ccc(CNc3c4ccc(Cl)cc4nc5C[CH]6C[CH](C=C(C)C6)c35)cc2)ccc1O | | InChi: | InChI=1S/C34H34ClN3O3/c1-20-11-24-13-25(12-20)33-29(14-24)38-28-17-26(35)8-9-27(28)34(33)37-18-22-5-3-21(4-6-22)16-32(40)36-19-23-7-10-30(39)31(15-23)41-2/h3-10,12,15,17,24-25,39H,11,13-14,16,18-19H2,1-2H3,(H,36,40)(H,37,38)/t24-,25+/m0/s1 | | Definition date: | 2017-03-09 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 |
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 | | 8UH | | Name: | 6-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)hexanamide | | Formula: | C31 H36 Cl N3 O3 | | SMILES: | COc1cc(CNC(=O)CCCCCNc2c3ccc(Cl)cc3nc4C[CH]5C[CH](CC(=C5)C)c24)ccc1O | | InChi: | InChI=1S/C31H36ClN3O3/c1-19-12-21-14-22(13-19)30-26(15-21)35-25-17-23(32)8-9-24(25)31(30)33-11-5-3-4-6-29(37)34-18-20-7-10-27(36)28(16-20)38-2/h7-10,12,16-17,21-22,36H,3-6,11,13-15,18H2,1-2H3,(H,33,35)(H,34,37)/t21-,22+/m0/s1 | | Definition date: | 2017-03-09 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 |
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 | | 8UK | | Name: | 7-[(3-Chloro-6,7,10,11-tetrahydro-9-methyl-7,11-methanocycloocta[b]quinolin-12-yl)amino]-N-(4-hydroxy-3-methoxybenzyl)heptanamide | | Formula: | C32 H38 Cl N3 O3 | | SMILES: | COc1cc(CNC(=O)CCCCCCNc2c3ccc(Cl)cc3nc4C[CH]5C[CH](CC(=C5)C)c24)ccc1O | | InChi: | InChI=1S/C32H38ClN3O3/c1-20-13-22-15-23(14-20)31-27(16-22)36-26-18-24(33)9-10-25(26)32(31)34-12-6-4-3-5-7-30(38)35-19-21-8-11-28(37)29(17-21)39-2/h8-11,13,17-18,22-23,37H,3-7,12,14-16,19H2,1-2H3,(H,34,36)(H,35,38)/t22-,23+/m0/s1 | | Definition date: | 2017-03-09 | | Last modified: | 2021-10-01 | | Release date: | 2021-10-06 |
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