 | | LJT | | Name: | 2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol | | Formula: | C23 H30 Cl N3 O3 S | | SMILES: | COc1cc2Sc3ccc(Cl)cc3N(CCCN4CCN(CCO)CC4)c2cc1OC | | InChi: | InChI=1S/C23H30ClN3O3S/c1-29-20-15-19-23(16-21(20)30-2)31-22-5-4-17(24)14-18(22)27(19)7-3-6-25-8-10-26(11-9-25)12-13-28/h4-5,14-16,28H,3,6-13H2,1-2H3 | | Definition date: | 2019-08-20 | | Last modified: | 2020-09-04 | | Release date: | 2020-09-09 | | Identifier: | 2-[4-[3-(8-chloranyl-2,3-dimethoxy-phenothiazin-10-yl)propyl]piperazin-1-yl]ethanol |
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 | | LK8 | | Name: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide | | Formula: | C25 H22 Cl2 F3 N3 O3 | | SMILES: | CNC(=O)[CH]1CCCN1C(=O)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)C(F)(F)F)c2Cl | | InChi: | InChI=1S/C25H22Cl2F3N3O3/c1-13-11-17(25(28,29)30)14-5-3-7-20(22(14)32-13)36-12-16-18(26)9-8-15(21(16)27)24(35)33-10-4-6-19(33)23(34)31-2/h3,5,7-9,11,19H,4,6,10,12H2,1-2H3,(H,31,34)/t19-/m0/s1 | | Definition date: | 2019-08-21 | | Last modified: | 2020-09-04 | | Release date: | 2020-09-09 | | Identifier: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide |
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 | | TZS | | Name: | N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide | | Formula: | C16 H25 N5 O4 S | | SMILES: | c21c(ncnc1CC(OC)=C(C2)OC)N3CCC(CC3)CNS(=O)(N)=O | | InChi: | InChI=1S/C16H25N5O4S/c1-24-14-7-12-13(8-15(14)25-2)18-10-19-16(12)21-5-3-11(4-6-21)9-20-26(17,22)23/h10-11,20H,3-9H2,1-2H3,(H2,17,22,23) | | Definition date: | 2020-04-03 | | Last modified: | 2020-09-04 | | Release date: | 2020-09-09 | | Identifier: | N-{[1-(6,7-dimethoxy-5,8-dihydroquinazolin-4-yl)piperidin-4-yl]methyl}sulfuric diamide |
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 | | U23 | | Name: | URIDINE-5'-MONOPHOSPHATE-2',3'-CYCLIC PHOSPHATE | | Formula: | C9 H12 N2 O11 P2 | | SMILES: | N1(C(=O)NC(=O)C=C1)C3C2C(OP(O2)(=O)O)C(O3)COP(=O)(O)O | | InChi: | InChI=1S/C9H12N2O11P2/c12-5-1-2-11(9(13)10-5)8-7-6(21-24(17,18)22-7)4(20-8)3-19-23(14,15)16/h1-2,4,6-8H,3H2,(H,17,18)(H,10,12,13)(H2,14,15,16)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 2020-07-31 | | Last modified: | 2020-09-04 | | Release date: | 2020-09-09 | | Identifier: | [(2S,3aR,4R,6R,6aR)-6-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methyl dihydrogen phosphate |
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 | | UK1 | | Name: | 3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one | | Formula: | C47 H49 F2 N11 O5 | | SMILES: | c1(cc(cc(c1F)C)n7c(c2c(CCN(C2C)C(c5cc3c(ccc(c3)N4CCOC(C4)(C)C)n5C(CCC)C6=NOC(N6)=O)=O)n7)N8C=CN(C8=O)c9c(c%10c(cc9)n(C)nc%10)F)C | | InChi: | InChI=1S/C47H49F2N11O5/c1-8-9-37(42-51-45(62)65-53-42)59-34-11-10-30(55-18-19-64-47(5,6)25-55)22-29(34)23-38(59)44(61)56-15-14-33-39(28(56)4)43(60(52-33)31-20-26(2)40(48)27(3)21-31)58-17-16-57(46(58)63)36-13-12-35-32(41(36)49)24-50-54(35)7/h10-13,16-17,20-24,28,37H,8-9,14-15,18-19,25H2,1-7H3,(H,51,53,62)/t28-,37-/m0/s1 | | Definition date: | 2020-05-19 | | Last modified: | 2020-09-04 | | Release date: | 2020-09-09 | | Identifier: | 3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one |
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 | | UK4 | | Name: | 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid | | Formula: | C31 H30 F N5 O4 | | SMILES: | C1OC(C1)Cn6c(CN4CCC(c3cccc(OCc2c(cc(cc2)C#N)F)n3)CC4)nc5c6cc(C(O)=O)cc5 | | InChi: | InChI=1S/C31H30FN5O4/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39)/t24-/m0/s1 | | Definition date: | 2020-05-19 | | Last modified: | 2020-09-04 | | Release date: | 2020-09-09 | | Identifier: | 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid |
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 | | 9RX | | Name: | 2-[3-[2-(1H-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-yl]benzoic acid | | Formula: | C18 H14 N6 O3 S | | SMILES: | OC(=O)c1ccccc1c2[nH]nc(SCC(=O)Nc3[nH]c4ccccc4n3)n2 | | InChi: | InChI=1S/C18H14N6O3S/c25-14(21-17-19-12-7-3-4-8-13(12)20-17)9-28-18-22-15(23-24-18)10-5-1-2-6-11(10)16(26)27/h1-8H,9H2,(H,26,27)(H,22,23,24)(H2,19,20,21,25) | | Definition date: | 2018-07-05 | | Last modified: | 2020-09-04 | | Release date: | 2020-09-09 | | Identifier: | 2-[3-[2-(1~{H}-benzimidazol-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1~{H}-1,2,4-triazol-5-yl]benzoic acid |
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 | | RTL | | Name: | RETINOL | | Formula: | C20 H30 O | | SMILES: | C1(CCCC(=C1C=CC(=CC=CC(=CCO)C)C)C)(C)C | | InChi: | InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+ | | Definition date: | 1999-07-08 | | Last modified: | 2020-09-03 | | Identifier: | retinol |
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 | | S49 | | Name: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide | | Formula: | C29 H33 N5 O4 S | | SMILES: | C(S(=O)(=O)NC(Cc1ccccc1)C(N3C(C(=O)NCc2ccc(/C(N)=N)cc2)CCC3)=O)c4ccccc4 | | InChi: | InChI=1S/C29H33N5O4S/c30-27(31)24-15-13-22(14-16-24)19-32-28(35)26-12-7-17-34(26)29(36)25(18-21-8-3-1-4-9-21)33-39(37,38)20-23-10-5-2-6-11-23/h1-6,8-11,13-16,25-26,33H,7,12,17-20H2,(H3,30,31)(H,32,35)/t25-,26+/m1/s1 | | Definition date: | 2015-03-23 | | Last modified: | 2020-09-03 | | Release date: | 2015-07-15 | | Identifier: | N-(benzylsulfonyl)-D-phenylalanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide |
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 | | VF4 | | Name: | (1R,3S)-3-methylcyclohexan-1-ol | | Formula: | C7 H14 O | | SMILES: | C1(CCCC(C1)C)O | | InChi: | InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1 | | Definition date: | 2020-08-06 | | Last modified: | 2020-08-28 | | Release date: | 2020-09-02 | | Identifier: | (1R,3S)-3-methylcyclohexan-1-ol |
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 | | VFA | | Name: | N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide | | Formula: | C21 H18 N2 O3 | | SMILES: | c1c(cccc1OC)CNC(c4ccc3c2ccncc2COc3c4)=O | | InChi: | InChI=1S/C21H18N2O3/c1-25-17-4-2-3-14(9-17)11-23-21(24)15-5-6-19-18-7-8-22-12-16(18)13-26-20(19)10-15/h2-10,12H,11,13H2,1H3,(H,23,24) | | Definition date: | 2020-08-06 | | Last modified: | 2020-08-28 | | Release date: | 2020-09-02 | | Identifier: | N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide |
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 | | VFS | | Name: | N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide | | Formula: | C19 H19 N3 O3 | | SMILES: | c2(c(ccc(C(=O)NC(CO)c1ccccc1)c2)c3cnnc3)OC | | InChi: | InChI=1S/C19H19N3O3/c1-25-18-9-14(7-8-16(18)15-10-20-21-11-15)19(24)22-17(12-23)13-5-3-2-4-6-13/h2-11,17,23H,12H2,1H3,(H,20,21)(H,22,24)/t17-/m1/s1 | | Definition date: | 2020-08-10 | | Last modified: | 2020-08-28 | | Release date: | 2020-09-02 | | Identifier: | N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxy-4-(1H-pyrazol-4-yl)benzamide |
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 | | HQH | | Name: | Piericidin A | | Formula: | C25 H37 N O4 | | SMILES: | COC1=C(OC)C(=O)C(=C(CC=C(C)CC=CC(C)=C[CH](C)[CH](O)C(C)=CC)N1)C | | InChi: | InChI=1S/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13+,17-15+,18-9+/t19-,22+/m1/s1 | | Definition date: | 2018-12-16 | | Last modified: | 2020-08-28 | | Release date: | 2020-09-02 | | Identifier: | 2,3-dimethoxy-5-methyl-6-[(2~{E},5~{E},7~{E},9~{R},10~{R},11~{E})-3,7,9,11-tetramethyl-10-oxidanyl-trideca-2,5,7,11-tetraenyl]-1~{H}-pyridin-4-one |
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 | | HQK | | Name: | Pyridaben | | Formula: | C19 H25 Cl N2 O S | | SMILES: | CC(C)(C)N1N=CC(=C(Cl)C1=O)SCc2ccc(cc2)C(C)(C)C | | InChi: | InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3 | | Definition date: | 2018-12-16 | | Last modified: | 2020-08-28 | | Release date: | 2020-09-02 | | Identifier: | 2-~{tert}-butyl-5-[(4-~{tert}-butylphenyl)methylsulfanyl]-4-chloranyl-pyridazin-3-one |
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 | | HQW | | Name: | Aureothin | | Formula: | C22 H23 N O6 | | SMILES: | COC1=C(C)C(=O)C(=C(O1)[CH]2CC(CO2)=CC(C)=Cc3ccc(cc3)[N+]([O-])=O)C | | InChi: | InChI=1S/C22H23NO6/c1-13(9-16-5-7-18(8-6-16)23(25)26)10-17-11-19(28-12-17)21-14(2)20(24)15(3)22(27-4)29-21/h5-10,19H,11-12H2,1-4H3/b13-9+,17-10-/t19-/m1/s1 | | Definition date: | 2018-12-16 | | Last modified: | 2020-08-28 | | Release date: | 2020-09-02 | | Identifier: | 2-methoxy-3,5-dimethyl-6-[(2~{R},4~{Z})-4-[(~{E})-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one |
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 | | BWC | | Name: | 5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide | | Formula: | C22 H25 F N4 O2 | | SMILES: | Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NCCN4CCCC4 | | InChi: | InChI=1S/C22H25FN4O2/c1-13-19(12-17-16-11-15(23)5-6-18(16)26-21(17)28)25-14(2)20(13)22(29)24-7-10-27-8-3-4-9-27/h5-6,11-12,25H,3-4,7-10H2,1-2H3,(H,24,29)(H,26,28)/b17-12- | | Definition date: | 2019-03-20 | | Last modified: | 2020-08-28 | | Release date: | 2020-09-02 | | Identifier: | 5-[(~{Z})-(5-fluoranyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]-2,4-dimethyl-~{N}-(2-pyrrolidin-1-ylethyl)-1~{H}-pyrrole-3-carboxamide |
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 | | DW9 | | Name: | 2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol | | Formula: | C14 H10 N4 O2 S4 | | SMILES: | Nc1sc2cc(SSc3cc(O)c4nc(N)sc4c3)cc(O)c2n1 | | InChi: | InChI=1S/C14H10N4O2S4/c15-13-17-11-7(19)1-5(3-9(11)21-13)23-24-6-2-8(20)12-10(4-6)22-14(16)18-12/h1-4,19-20H,(H2,15,17)(H2,16,18) | | Definition date: | 2019-09-13 | | Last modified: | 2020-08-28 | | Release date: | 2020-09-02 | | Identifier: | 2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol |
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 | | GE6 | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | | Formula: | C10 H15 F N3 O15 P3 | | SMILES: | NC(=O)C1=NC(=CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C1=O)F | | InChi: | InChI=1S/C10H15FN3O15P3/c11-4-1-14(9(18)5(13-4)8(12)17)10-7(16)6(15)3(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h1,3,6-7,10,15-16H,2H2,(H2,12,17)(H,22,23)(H,24,25)(H2,19,20,21)/t3-,6-,7-,10-/m1/s1 | | Definition date: | 2020-08-21 | | Last modified: | 2020-08-28 | | Release date: | 2020-09-02 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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 | | F9U | | Name: | (3Z,5R,8R,9S,10R,13S,14R)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione | | Formula: | C21 H32 N2 O3 | | SMILES: | C[C]12CCC(C[CH]1C(=O)C[CH]3[CH]2CC[C]4(C)[CH]3CCC4=O)=NOCCN | | InChi: | InChI=1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13-/t14-,15+,16-,17-,20+,21-/m0/s1 | | Definition date: | 2020-04-22 | | Last modified: | 2020-08-28 | | Release date: | 2020-09-02 | | Identifier: | (3~{Z},5~{R},8~{R},9~{S},10~{R},13~{S},14~{R})-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione |
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 | | 0J1 | | Name: | (2R)-3-{[(R)-hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dinonanoate | | Formula: | C27 H52 O16 P2 | | SMILES: | CCCCCCCCC(OCC(OC(=O)CCCCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)OP(O)(O)=O)O)=O | | InChi: | InChI=1S/C27H52O16P2/c1-3-5-7-9-11-13-15-20(28)39-17-19(41-21(29)16-14-12-10-8-6-4-2)18-40-45(37,38)43-27-24(32)22(30)23(31)26(25(27)33)42-44(34,35)36/h19,22-27,30-33H,3-18H2,1-2H3,(H,37,38)(H2,34,35,36)/t19-,22+,23+,24-,25-,26-,27+/m1/s1 | | Definition date: | 2020-08-07 | | Last modified: | 2020-08-28 | | Release date: | 2020-09-02 | | Identifier: | (2R)-3-{[(R)-hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dinonanoate |
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 | | N3Z | | Name: | ~{N}-[(10~{S})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide | | Formula: | C23 H25 N O5 | | SMILES: | COc1cc2CC[CH](NC(C)=O)c3cc4OCC(=C)c4cc3c2c(OC)c1OC | | InChi: | InChI=1S/C23H25NO5/c1-12-11-29-19-10-16-17(9-15(12)19)21-14(6-7-18(16)24-13(2)25)8-20(26-3)22(27-4)23(21)28-5/h8-10,18H,1,6-7,11H2,2-5H3,(H,24,25)/t18-/m0/s1 | | Definition date: | 2019-11-11 | | Last modified: | 2020-08-28 | | Release date: | 2020-09-02 | | Identifier: | ~{N}-[(10~{S})-3,4,5-trimethoxy-16-methylidene-14-oxatetracyclo[9.7.0.0^{2,7}.0^{13,17}]octadeca-1(18),2,4,6,11,13(17)-hexaen-10-yl]ethanamide |
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 | | E2X | | Name: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine | | Formula: | C19 H23 Cl N4 O | | SMILES: | Nc1cc2Oc3cnccc3N(CCC[CH]4CCCNC4)c2cc1Cl | | InChi: | InChI=1S/C19H23ClN4O/c20-14-9-17-18(10-15(14)21)25-19-12-23-7-5-16(19)24(17)8-2-4-13-3-1-6-22-11-13/h5,7,9-10,12-13,22H,1-4,6,8,11,21H2/t13-/m0/s1 | | Definition date: | 2019-10-02 | | Last modified: | 2020-08-28 | | Release date: | 2020-09-02 | | Identifier: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine |
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 | | E6L | | Name: | 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid
ine-5-carboxamide | | Formula: | C23 H26 Cl N7 O3 | | SMILES: | COc1ccc(CNc2nc(ncc2C(=O)NCc3ncccn3)N4CCC[CH]4CO)cc1Cl | | InChi: | InChI=1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1 | | Synonyms: | Avanafil | | Definition date: | 2019-10-31 | | Last modified: | 2020-08-28 | | Release date: | 2020-09-02 | | Identifier: | 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2~{S})-2-(hydroxymethyl)pyrrolidin-1-yl]-~{N}-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide |
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 | | EBX | | Name: | 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide | | Formula: | C22 H26 N4 O5 | | SMILES: | CC[CH](NC1=C(Nc2ccnc(c2O)C(=O)N(C)C)C(=O)C1=O)c3occ(c3)C(C)C | | InChi: | InChI=1S/C22H26N4O5/c1-6-13(15-9-12(10-31-15)11(2)3)24-16-17(21(29)20(16)28)25-14-7-8-23-18(19(14)27)22(30)26(4)5/h7-11,13,24,27H,6H2,1-5H3,(H,23,25)/t13-/m1/s1 | | Definition date: | 2019-12-10 | | Last modified: | 2020-08-28 | | Release date: | 2020-09-02 | | Identifier: | 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide |
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 | | QGH | | Name: | (1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole | | Formula: | C12 H14 N2 | | SMILES: | C[CH]1NCCc2c1[nH]c3ccccc23 | | InChi: | InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m1/s1 | | Definition date: | 2020-06-16 | | Last modified: | 2020-08-28 | | Release date: | 2020-09-02 | | Identifier: | (1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole |
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