 | | T93 | | Name: | [[(4-hexoxypyridin-2-yl)amino]-phosphono-methyl]phosphonic acid | | Formula: | C12 H22 N2 O7 P2 | | SMILES: | CCCCCCOc1ccnc(NC([P](O)(O)=O)[P](O)(O)=O)c1 | | InChi: | InChI=1S/C12H22N2O7P2/c1-2-3-4-5-8-21-10-6-7-13-11(9-10)14-12(22(15,16)17)23(18,19)20/h6-7,9,12H,2-5,8H2,1H3,(H,13,14)(H2,15,16,17)(H2,18,19,20) | | Definition date: | 2017-10-03 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | [[(4-hexoxypyridin-2-yl)amino]-phosphono-methyl]phosphonic acid |
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 | | HJA | | Name: | (2S)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic S-acid | | Formula: | C14 H26 N2 O3 S | | SMILES: | NCC(C(=O)S)NC(OCCCCC1CCCCC1)=O | | InChi: | InChI=1S/C14H26N2O3S/c15-10-12(13(17)20)16-14(18)19-9-5-4-8-11-6-2-1-3-7-11/h11-12H,1-10,15H2,(H,16,18)(H,17,20)/t12-/m0/s1 | | Definition date: | 2018-07-03 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | (2S)-3-amino-2-{[(4-cyclohexylbutoxy)carbonyl]amino}propanethioic S-acid |
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 | | 9M3 | | Name: | N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide | | Formula: | C32 H35 N7 O3 | | SMILES: | c1cc(c(C)c(c1)NC(=O)c2ccc(C(C)(C)C)cc2)c3nc(nc(n3)Nc4ccc(cc4)C(=O)N5CCOCC5)N | | InChi: | InChI=1S/C32H35N7O3/c1-20-25(6-5-7-26(20)35-28(40)21-8-12-23(13-9-21)32(2,3)4)27-36-30(33)38-31(37-27)34-24-14-10-22(11-15-24)29(41)39-16-18-42-19-17-39/h5-15H,16-19H2,1-4H3,(H,35,40)(H3,33,34,36,37,38) | | Definition date: | 2018-05-31 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | N-[3-(4-amino-6-{[4-(morpholine-4-carbonyl)phenyl]amino}-1,3,5-triazin-2-yl)-2-methylphenyl]-4-tert-butylbenzamide |
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 | | 7QD | | Name: | (2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid | | Formula: | C7 H8 O8 | | SMILES: | O=C(CC(CC(O)=O)(C(=O)O)O)C(=O)O | | InChi: | InChI=1S/C7H8O8/c8-3(5(11)12)1-7(15,6(13)14)2-4(9)10/h15H,1-2H2,(H,9,10)(H,11,12)(H,13,14)/t7-/m0/s1 | | Definition date: | 2016-11-29 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | (2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid |
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 | | 9BL | | Name: | methyl (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-2,6-dimethylocta-2,6-dienoate | | Formula: | C19 H23 Cl O5 | | SMILES: | COC(=O)C(C)=[C@H]CCC(=[C@H]Cc1c(c(C=O)c(C)c(Cl)c1O)O)C | | InChi: | InChI=1S/C19H23ClO5/c1-11(6-5-7-12(2)19(24)25-4)8-9-14-17(22)15(10-21)13(3)16(20)18(14)23/h7-8,10,22-23H,5-6,9H2,1-4H3/b11-8+,12-7+ | | Definition date: | 2018-03-08 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | methyl (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-2,6-dimethylocta-2,6-dienoate |
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 | | 9BO | | Name: | (2S,3E,7E)-9-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,7-dimethylnona-3,7-dien-2-yl acetate | | Formula: | C21 H27 Cl O5 | | SMILES: | CC(=O)OC(C)C(C)=[C@H]CCC(=[C@H]Cc1c(c(C=O)c(C)c(Cl)c1O)O)C | | InChi: | InChI=1S/C21H27ClO5/c1-12(7-6-8-13(2)15(4)27-16(5)24)9-10-17-20(25)18(11-23)14(3)19(22)21(17)26/h8-9,11,15,25-26H,6-7,10H2,1-5H3/b12-9+,13-8+/t15-/m0/s1 | | Definition date: | 2018-03-08 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | (2S,3E,7E)-9-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,7-dimethylnona-3,7-dien-2-yl acetate |
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 | | 9BR | | Name: | 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde | | Formula: | C23 H31 Cl O3 | | SMILES: | CC(C)=[C@H]CCC(C)=[C@H]CCC(=[C@H]Cc1c(c(C=O)c(C)c(Cl)c1O)O)C | | InChi: | InChI=1S/C23H31ClO3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-22(26)20(14-25)18(5)21(24)23(19)27/h8,10,12,14,26-27H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+ | | Definition date: | 2018-03-08 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde |
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 | | 9BU | | Name: | (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate | | Formula: | C22 H29 Cl O5 | | SMILES: | CC(C)C(=O)OC[C@H]=C(C)CCC(=CCc1c(c(C=O)c(C)c(Cl)c1O)O)C | | InChi: | InChI=1S/C22H29ClO5/c1-13(2)22(27)28-11-10-15(4)7-6-14(3)8-9-17-20(25)18(12-24)16(5)19(23)21(17)26/h8,10,12-13,25-26H,6-7,9,11H2,1-5H3/b14-8+,15-10+ | | Definition date: | 2018-03-08 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate |
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 | | 9BX | | Name: | 3-chloro-4,6-dihydroxy-5-[(2Z,6Z,8E)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde | | Formula: | C23 H29 Cl O5 | | SMILES: | CC(C)(C(C=CC(C)=[C@H]CCC(C)=[C@H]Cc1c(c(c(c(c1O)C=O)C)Cl)O)=O)O | | InChi: | InChI=1S/C23H29ClO5/c1-14(7-6-8-15(2)10-12-19(26)23(4,5)29)9-11-17-21(27)18(13-25)16(3)20(24)22(17)28/h8-10,12-13,27-29H,6-7,11H2,1-5H3/b12-10+,14-9-,15-8- | | Definition date: | 2018-03-08 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | 3-chloro-4,6-dihydroxy-5-[(2Z,6Z,8E)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde |
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 | | 9KO | | Name: | N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide | | Formula: | C33 H32 F3 N9 O3 | | SMILES: | c6cc(C(F)(F)F)cc(C(=O)Nc1ccc(c(c1)N5C(N(C)c4nc(Nc2cnc(cc2)N3CCN(C(C)=O)CC3)ncc4C5)=O)C)c6 | | InChi: | InChI=1S/C33H32F3N9O3/c1-20-7-8-25(39-30(47)22-5-4-6-24(15-22)33(34,35)36)16-27(20)45-19-23-17-38-31(41-29(23)42(3)32(45)48)40-26-9-10-28(37-18-26)44-13-11-43(12-14-44)21(2)46/h4-10,15-18H,11-14,19H2,1-3H3,(H,39,47)(H,38,40,41) | | Definition date: | 2018-05-21 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | N-{3-[7-{[6-(4-acetylpiperazin-1-yl)pyridin-3-yl]amino}-1-methyl-2-oxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-4-methylphenyl}-3-(trifluoromethyl)benzamide |
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 | | 8UL | | Name: | 1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidine-4-carboxylic acid | | Formula: | C23 H26 F N5 O3 | | SMILES: | CC(C)[C]1(c2cc(F)cc(c2)N3CCC(CC3)C(O)=O)C(=C(N)Oc4n[nH]c(C)c14)C#N | | InChi: | InChI=1S/C23H26FN5O3/c1-12(2)23(18(11-25)20(26)32-21-19(23)13(3)27-28-21)15-8-16(24)10-17(9-15)29-6-4-14(5-7-29)22(30)31/h8-10,12,14H,4-7,26H2,1-3H3,(H,27,28)(H,30,31)/t23-/m0/s1 | | Definition date: | 2017-09-26 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | 1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidine-4-carboxylic acid |
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 | | 8UR | | Name: | 2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]ethanoic acid | | Formula: | C25 H28 F3 N5 O3 | | SMILES: | CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)N3CCC(CC3)CC(O)=O)C(=C(N)Oc4n[nH]c(C)c14)C#N | | InChi: | InChI=1S/C25H28F3N5O3/c1-13(2)24(19(12-29)22(30)36-23-21(24)14(3)31-32-23)16-9-17(25(26,27)28)11-18(10-16)33-6-4-15(5-7-33)8-20(34)35/h9-11,13,15H,4-8,30H2,1-3H3,(H,31,32)(H,34,35)/t24-/m0/s1 | | Definition date: | 2017-09-26 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | 2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]ethanoic acid |
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 | | 8UU | | Name: | 3-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]propanoic acid | | Formula: | C26 H30 F3 N5 O3 | | SMILES: | CC(C)[C]1(c2cc(cc(c2)C(F)(F)F)N3CCC(CC3)CCC(O)=O)C(=C(N)Oc4n[nH]c(C)c14)C#N | | InChi: | InChI=1S/C26H30F3N5O3/c1-14(2)25(20(13-30)23(31)37-24-22(25)15(3)32-33-24)17-10-18(26(27,28)29)12-19(11-17)34-8-6-16(7-9-34)4-5-21(35)36/h10-12,14,16H,4-9,31H2,1-3H3,(H,32,33)(H,35,36)/t25-/m0/s1 | | Definition date: | 2017-09-26 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | 3-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]piperidin-4-yl]propanoic acid |
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 | | CGD | | Name: | 1,3-benzothiazol-2-ol | | Formula: | C7 H5 N O S | | SMILES: | c1ccc2c(c1)sc(O)n2 | | InChi: | InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) | | Definition date: | 2017-09-22 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | 1,3-benzothiazol-2-ol |
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 | | CJ4 | | Name: | 1-(5-fluoro-2-{methyl[3-(methylamino)propyl]amino}pyrimidin-4-yl)-N-[(imidazo[1,2-a]pyridin-3-yl)methyl]azetidine-3-carboxamide | | Formula: | C21 H27 F N8 O | | SMILES: | CNCCCN(C)c1nc(c(cn1)F)N4CC(C(=O)NCc2cnc3ccccn23)C4 | | InChi: | InChI=1S/C21H27FN8O/c1-23-7-5-8-28(2)21-26-12-17(22)19(27-21)29-13-15(14-29)20(31)25-11-16-10-24-18-6-3-4-9-30(16)18/h3-4,6,9-10,12,15,23H,5,7-8,11,13-14H2,1-2H3,(H,25,31) | | Definition date: | 2017-09-22 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | 1-(5-fluoro-2-{methyl[3-(methylamino)propyl]amino}pyrimidin-4-yl)-N-[(imidazo[1,2-a]pyridin-3-yl)methyl]azetidine-3-carboxamide |
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 | | D0J | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol | | Formula: | C19 H36 N4 O5 | | SMILES: | C(N1CC(C(O)C(O)C1CO)O)CCCCCCCCn2cc(COC)nn2 | | InChi: | InChI=1S/C19H36N4O5/c1-28-14-15-11-23(21-20-15)10-8-6-4-2-3-5-7-9-22-12-17(25)19(27)18(26)16(22)13-24/h11,16-19,24-27H,2-10,12-14H2,1H3/t16-,17+,18-,19-/m1/s1 | | Definition date: | 2017-10-11 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{9-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]nonyl}piperidine-3,4,5-triol |
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 | | D4B | | Name: | [(2~{R},3~{S},5~{R})-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Formula: | C19 H18 N3 O7 P | | SMILES: | NC1=NC(=O)N(C=C1C#Cc2ccc(cc2)C#C)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3 | | InChi: | InChI=1S/C19H18N3O7P/c1-2-12-3-5-13(6-4-12)7-8-14-10-22(19(24)21-18(14)20)17-9-15(23)16(29-17)11-28-30(25,26)27/h1,3-6,10,15-17,23H,9,11H2,(H2,20,21,24)(H2,25,26,27)/t15-,16+,17+/m0/s1 | | Definition date: | 2017-12-19 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | [(2~{R},3~{S},5~{R})-5-[4-azanyl-5-[2-(4-ethynylphenyl)ethynyl]-2-oxidanylidene-pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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 | | DOJ | | Name: | N-{(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethoxy]piperidin-4-yl}-N'-[3-(trifluoromethyl)phenyl]urea | | Formula: | C22 H26 F3 N3 O3 | | SMILES: | FC(F)(F)c1cccc(c1)NC(=O)NC2C(OC(O)C)CN(CC2)Cc3ccccc3 | | InChi: | InChI=1S/C22H26F3N3O3/c1-15(29)31-20-14-28(13-16-6-3-2-4-7-16)11-10-19(20)27-21(30)26-18-9-5-8-17(12-18)22(23,24)25/h2-9,12,15,19-20,29H,10-11,13-14H2,1H3,(H2,26,27,30)/t15-,19-,20-/m0/s1 | | Definition date: | 2017-11-01 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | N-{(3S,4S)-1-benzyl-3-[(1S)-1-hydroxyethoxy]piperidin-4-yl}-N'-[3-(trifluoromethyl)phenyl]urea |
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 | | DQD | | Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea | | Formula: | C24 H28 F3 N3 O3 | | SMILES: | FC(F)(F)c1cccc(c1)NC(=O)N(C2CCN(CC2)CCC)Cc3ccc4c(c3)OCO4 | | InChi: | InChI=1S/C24H28F3N3O3/c1-2-10-29-11-8-20(9-12-29)30(15-17-6-7-21-22(13-17)33-16-32-21)23(31)28-19-5-3-4-18(14-19)24(25,26)27/h3-7,13-14,20H,2,8-12,15-16H2,1H3,(H,28,31) | | Definition date: | 2017-11-01 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea |
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 | | E0M | | Name: | 2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one | | Formula: | C16 H14 N6 O2 | | SMILES: | CC(C)c4ccc1c(C(c2c(O1)nc(c(c2)c3nnnn3)N)=O)c4 | | InChi: | InChI=1S/C16H14N6O2/c1-7(2)8-3-4-12-9(5-8)13(23)10-6-11(15-19-21-22-20-15)14(17)18-16(10)24-12/h3-7H,1-2H3,(H2,17,18)(H,19,20,21,22) | | Definition date: | 2017-11-20 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | 2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one |
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 | | E0P | | Name: | ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate | | Formula: | C18 H18 N2 O4 | | SMILES: | CCOC(c3cc2C(=O)c1cc(C(C)C)ccc1Oc2nc3N)=O | | InChi: | InChI=1S/C18H18N2O4/c1-4-23-18(22)13-8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)20-16(13)19/h5-9H,4H2,1-3H3,(H2,19,20) | | Definition date: | 2017-11-20 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate |
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 | | E0S | | Name: | 2-amino-5-oxo-7-(propan-2-yl)-N-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxamide | | Formula: | C17 H15 N7 O3 | | SMILES: | CC(C)c4ccc1c(C(c2c(O1)nc(c(c2)C(Nc3nnnn3)=O)N)=O)c4 | | InChi: | InChI=1S/C17H15N7O3/c1-7(2)8-3-4-12-9(5-8)13(25)10-6-11(14(18)19-16(10)27-12)15(26)20-17-21-23-24-22-17/h3-7H,1-2H3,(H2,18,19)(H2,20,21,22,23,24,26) | | Definition date: | 2017-11-20 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | 2-amino-5-oxo-7-(propan-2-yl)-N-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxamide |
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 | | ELH | | Name: | 2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid | | Formula: | C14 H9 N O2 S | | SMILES: | OC(=O)c1csc(n1)c2cccc3ccccc23 | | InChi: | InChI=1S/C14H9NO2S/c16-14(17)12-8-18-13(15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H,(H,16,17) | | Definition date: | 2018-03-26 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | 2-naphthalen-1-yl-1,3-thiazole-4-carboxylic acid |
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 | | EYH | | Name: | (4~{S})-4-(4-chloranyl-2-methyl-phenyl)-5-(5-chloranyl-2-methyl-phenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one | | Formula: | C28 H27 Cl2 N5 O3 | | SMILES: | COc1ncc(c(OC)n1)c2nc3C(=O)N([CH](c4ccc(Cl)cc4C)c3n2C(C)C)c5cc(Cl)ccc5C | | InChi: | InChI=1S/C28H27Cl2N5O3/c1-14(2)34-24-22(32-25(34)20-13-31-28(38-6)33-26(20)37-5)27(36)35(21-12-18(30)8-7-15(21)3)23(24)19-10-9-17(29)11-16(19)4/h7-14,23H,1-6H3/t23-/m0/s1 | | Definition date: | 2018-05-04 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | (4~{S})-4-(4-chloranyl-2-methyl-phenyl)-5-(5-chloranyl-2-methyl-phenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4~{H}-pyrrolo[3,4-d]imidazol-6-one |
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 | | F4T | | Name: | methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate | | Formula: | C21 H26 N2 O5 S | | SMILES: | COC(=O)c1ccc(N2CCCCCC2)c(N[S](=O)(=O)c3ccc(OC)cc3)c1 | | InChi: | InChI=1S/C21H26N2O5S/c1-27-17-8-10-18(11-9-17)29(25,26)22-19-15-16(21(24)28-2)7-12-20(19)23-13-5-3-4-6-14-23/h7-12,15,22H,3-6,13-14H2,1-2H3 | | Definition date: | 2018-05-31 | | Last modified: | 2018-09-21 | | Release date: | 2018-09-26 | | Identifier: | methyl 4-(azepan-1-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzoate |
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