 | | 8R8 | | Name: | 3-[5-chloranyl-2-oxidanylidene-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid | | Formula: | C17 H15 Cl N2 O5 | | SMILES: | C[CH](Oc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl)c3ccccn3 | | InChi: | InChI=1S/C17H15ClN2O5/c1-10(12-4-2-3-6-19-12)24-14-9-15-13(8-11(14)18)20(17(23)25-15)7-5-16(21)22/h2-4,6,8-10H,5,7H2,1H3,(H,21,22)/t10-/m1/s1 | | Definition date: | 2017-02-27 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | 3-[5-chloranyl-2-oxidanylidene-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid |
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 | | 8RB | | Name: | 3-[5-chloranyl-6-[(1~{R})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid | | Formula: | C17 H16 Cl N3 O4 | | SMILES: | C[CH](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c3ccc(C)nn3 | | InChi: | InChI=1S/C17H16ClN3O4/c1-9-3-4-13(20-19-9)10(2)24-16-8-15-11(7-12(16)18)14(21-25-15)5-6-17(22)23/h3-4,7-8,10H,5-6H2,1-2H3,(H,22,23)/t10-/m1/s1 | | Definition date: | 2017-02-27 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | 3-[5-chloranyl-6-[(1~{R})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid |
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 | | 8RK | | Name: | 3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid | | Formula: | C11 H10 Cl N O4 | | SMILES: | Cc1cc2OC(=O)N(CCC(O)=O)c2cc1Cl | | InChi: | InChI=1S/C11H10ClNO4/c1-6-4-9-8(5-7(6)12)13(11(16)17-9)3-2-10(14)15/h4-5H,2-3H2,1H3,(H,14,15) | | Definition date: | 2017-02-28 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | 3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid |
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 | | 8TK | | Name: | 4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile | | Formula: | C21 H18 N6 O S | | SMILES: | C[CH](Nc1ncnc(N)c1C#N)C2=C(C(=O)N3C(=CSC3=C2)C)c4ccccc4 | | InChi: | InChI=1S/C21H18N6OS/c1-12-10-29-17-8-15(13(2)26-20-16(9-22)19(23)24-11-25-20)18(21(28)27(12)17)14-6-4-3-5-7-14/h3-8,10-11,13H,1-2H3,(H3,23,24,25,26)/t13-/m0/s1 | | Definition date: | 2017-03-07 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | 4-azanyl-6-[[(1~{S})-1-(3-methyl-5-oxidanylidene-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile |
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 | | 8TN | | Name: | 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile | | Formula: | C24 H25 N7 O S | | SMILES: | C[CH](Nc1ncnc(N)c1C#N)C2=C(C(=O)N3C(=CSC3=C2)C)c4cccc(CN(C)C)c4 | | InChi: | InChI=1S/C24H25N7OS/c1-14-12-33-20-9-18(15(2)29-23-19(10-25)22(26)27-13-28-23)21(24(32)31(14)20)17-7-5-6-16(8-17)11-30(3)4/h5-9,12-13,15H,11H2,1-4H3,(H3,26,27,28,29)/t15-/m0/s1 | | Definition date: | 2017-03-07 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | 4-azanyl-6-[[(1~{S})-1-[6-[3-[(dimethylamino)methyl]phenyl]-3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyridin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile |
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 | | 8UY | | Name: | 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile | | Formula: | C13 H8 N4 | | SMILES: | N#Cc3ccc(c2cccc1ncnn12)cc3 | | InChi: | InChI=1S/C13H8N4/c14-8-10-4-6-11(7-5-10)12-2-1-3-13-15-9-16-17(12)13/h1-7,9H | | Definition date: | 2017-03-06 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile |
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 | | 8VT | | Name: | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide | | Formula: | C30 H40 N2 O13 | | SMILES: | COc1cccc(CO[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH](O)[CH](NC(=O)c4cccc(OC)c4)[CH](NC(C)=O)O[CH]3CO)[CH]2O)c1 | | InChi: | InChI=1S/C30H40N2O13/c1-15(35)31-29-22(32-28(39)17-7-5-9-19(11-17)41-3)24(37)26(21(13-34)43-29)45-30-25(38)27(23(36)20(12-33)44-30)42-14-16-6-4-8-18(10-16)40-2/h4-11,20-27,29-30,33-34,36-38H,12-14H2,1-3H3,(H,31,35)(H,32,39)/t20-,21-,22-,23+,24-,25-,26-,27+,29-,30+/m1/s1 | | Definition date: | 2017-03-13 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide |
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 | | 8VW | | Name: | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide | | Formula: | C22 H32 N2 O12 | | SMILES: | COc1cccc(c1)C(=O)N[CH]2[CH](O)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](CO)O[CH]2NC(C)=O | | InChi: | InChI=1S/C22H32N2O12/c1-9(27)23-21-14(24-20(32)10-4-3-5-11(6-10)33-2)16(29)19(13(8-26)34-21)36-22-18(31)17(30)15(28)12(7-25)35-22/h3-6,12-19,21-22,25-26,28-31H,7-8H2,1-2H3,(H,23,27)(H,24,32)/t12-,13-,14-,15+,16-,17+,18-,19-,21-,22+/m1/s1 | | Definition date: | 2017-03-14 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide |
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 | | 8YB | | Name: | ~{N}-[4-(3-chlorophenyl)-5-(2-chlorophenyl)carbonyl-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide | | Formula: | C26 H20 Cl2 N2 O4 S2 | | SMILES: | CC[S](=O)(=O)c1ccc(CC(=O)Nc2sc(C(=O)c3ccccc3Cl)c(n2)c4cccc(Cl)c4)cc1 | | InChi: | InChI=1S/C26H20Cl2N2O4S2/c1-2-36(33,34)19-12-10-16(11-13-19)14-22(31)29-26-30-23(17-6-5-7-18(27)15-17)25(35-26)24(32)20-8-3-4-9-21(20)28/h3-13,15H,2,14H2,1H3,(H,29,30,31) | | Definition date: | 2017-03-23 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | ~{N}-[4-(3-chlorophenyl)-5-(2-chlorophenyl)carbonyl-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide |
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 | | 8Z8 | | Name: | 5-chloranyl-7-[(1~{R},5~{S})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine | | Formula: | C19 H17 Cl F3 N5 O | | SMILES: | CO[CH]1C[CH]2CC[CH](C1)N2c3n4ncnc4nc(Cl)c3c5c(F)cc(F)cc5F | | InChi: | InChI=1S/C19H17ClF3N5O/c1-29-12-6-10-2-3-11(7-12)27(10)18-16(15-13(22)4-9(21)5-14(15)23)17(20)26-19-24-8-25-28(18)19/h4-5,8,10-12H,2-3,6-7H2,1H3/t10-,11+,12+ | | Definition date: | 2017-03-29 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | 5-chloranyl-7-[(1~{R},5~{S})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine |
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 | | ANV | | Name: | 1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole | | Formula: | C15 H16 N4 O3 S | | SMILES: | N[S](O)(O)c1ccc(cc1)n2cc(COc3ccccc3)nn2 | | InChi: | InChI=1S/C15H16N4O3S/c16-23(20,21)15-8-6-13(7-9-15)19-10-12(17-18-19)11-22-14-4-2-1-3-5-14/h1-10,20-21H,11,16H2 | | Definition date: | 2016-07-19 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | 1-[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenyl]-4-(phenoxymethyl)-1,2,3-triazole |
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 | | 8JH | | Name: | ~{N}-[(2~{S})-1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid | | Formula: | C19 H33 N4 O5 P | | SMILES: | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCCCN | | InChi: | InChI=1S/C19H33N4O5P/c1-15(2)12-17(18(24)21-11-7-6-10-20)23-29(26,27)14-22-19(25)28-13-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14,20H2,1-2H3,(H,21,24)(H,22,25)(H2,23,26,27)/t17-/m0/s1 | | Definition date: | 2017-02-08 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | ~{N}-[(2~{S})-1-(4-azanylbutylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid |
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 | | 8JQ | | Name: | ~{N}-[(2~{S})-1-(2-azanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid | | Formula: | C17 H29 N4 O5 P | | SMILES: | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCN | | InChi: | InChI=1S/C17H29N4O5P/c1-13(2)10-15(16(22)19-9-8-18)21-27(24,25)12-20-17(23)26-11-14-6-4-3-5-7-14/h3-7,13,15H,8-12,18H2,1-2H3,(H,19,22)(H,20,23)(H2,21,24,25)/t15-/m0/s1 | | Definition date: | 2017-02-08 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | ~{N}-[(2~{S})-1-(2-azanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid |
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 | | 8KK | | Name: | ~{N}-[(2~{S})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid | | Formula: | C18 H31 N4 O5 P | | SMILES: | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NCCCN | | InChi: | InChI=1S/C18H31N4O5P/c1-14(2)11-16(17(23)20-10-6-9-19)22-28(25,26)13-21-18(24)27-12-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13,19H2,1-2H3,(H,20,23)(H,21,24)(H2,22,25,26)/t16-/m0/s1 | | Definition date: | 2017-02-09 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | ~{N}-[(2~{S})-1-(3-azanylpropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid |
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 | | 8KN | | Name: | (2~{S})-5-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid | | Formula: | C20 H33 N4 O7 P | | SMILES: | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CCCN)C(O)=O | | InChi: | InChI=1S/C20H33N4O7P/c1-14(2)11-17(18(25)23-16(19(26)27)9-6-10-21)24-32(29,30)13-22-20(28)31-12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13,21H2,1-2H3,(H,22,28)(H,23,25)(H,26,27)(H2,24,29,30)/t16-,17-/m0/s1 | | Definition date: | 2017-02-09 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | (2~{S})-5-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]pentanoic acid |
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 | | 8L2 | | Name: | (2~{S})-3-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid | | Formula: | C18 H29 N4 O7 P | | SMILES: | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CN)C(O)=O | | InChi: | InChI=1S/C18H29N4O7P/c1-12(2)8-14(16(23)21-15(9-19)17(24)25)22-30(27,28)11-20-18(26)29-10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,19H2,1-2H3,(H,20,26)(H,21,23)(H,24,25)(H2,22,27,28)/t14-,15-/m0/s1 | | Definition date: | 2017-02-09 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | (2~{S})-3-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]propanoic acid |
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 | | 8LB | | Name: | (2~{S})-6-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid | | Formula: | C21 H35 N4 O7 P | | SMILES: | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)N[CH](CCCCN)C(O)=O | | InChi: | InChI=1S/C21H35N4O7P/c1-15(2)12-18(19(26)24-17(20(27)28)10-6-7-11-22)25-33(30,31)14-23-21(29)32-13-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14,22H2,1-2H3,(H,23,29)(H,24,26)(H,27,28)(H2,25,30,31)/t17-,18-/m0/s1 | | Definition date: | 2017-02-09 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | (2~{S})-6-azanyl-2-[[(2~{S})-4-methyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]pentanoyl]amino]hexanoic acid |
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 | | 8NG | | Name: | N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide | | Formula: | C22 H19 F2 N3 O4 S | | SMILES: | c1cc(c(cc1F)F)Oc2c(cc(cc2)NS(CC)(=O)=O)C4=CN(C)C(c3c4ccn3)=O | | InChi: | InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3 | | Definition date: | 2017-02-22 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide |
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 | | 8NM | | Name: | N-[3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide | | Formula: | C21 H19 N3 O4 S | | SMILES: | c1cc(c(cc1NS(C)(=O)=O)C3=CN(C)C(c2c3ccn2)=O)Oc4ccccc4 | | InChi: | InChI=1S/C21H19N3O4S/c1-24-13-18(16-10-11-22-20(16)21(24)25)17-12-14(23-29(2,26)27)8-9-19(17)28-15-6-4-3-5-7-15/h3-13,22-23H,1-2H3 | | Definition date: | 2017-02-22 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | N-[3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]methanesulfonamide |
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 | | 8NS | | Name: | 7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one | | Formula: | C21 H23 N3 O3 S | | SMILES: | n4c5c3C(c1c(ccc(c1)S(CC)(=O)=O)N(CC2CC2)Cc3c4)=CN(C)C5=O | | InChi: | InChI=1S/C21H23N3O3S/c1-3-28(26,27)15-6-7-18-16(8-15)17-12-23(2)21(25)20-19(17)14(9-22-20)11-24(18)10-13-4-5-13/h6-9,12-13,22H,3-5,10-11H2,1-2H3 | | Definition date: | 2017-02-22 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | 7-(cyclopropylmethyl)-10-(ethylsulfonyl)-2-methyl-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one |
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 | | 8NV | | Name: | 7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one | | Formula: | C22 H25 N3 O3 S | | SMILES: | c5c3c4c(C(N(C)C=C4c1c(ccc(c1)S(C(C)C)(=O)=O)N(CC2CC2)C3)=O)n5 | | InChi: | InChI=1S/C22H25N3O3S/c1-13(2)29(27,28)16-6-7-19-17(8-16)18-12-24(3)22(26)21-20(18)15(9-23-21)11-25(19)10-14-4-5-14/h6-9,12-14,23H,4-5,10-11H2,1-3H3 | | Definition date: | 2017-02-22 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | 7-(cyclopropylmethyl)-2-methyl-10-[(propan-2-yl)sulfonyl]-2,4,6,7-tetrahydro-3H-2,4,7-triazadibenzo[cd,f]azulen-3-one |
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 | | 8O1 | | Name: | 4-{2-[(cyclopropylmethyl)amino]-5-(ethylsulfonyl)phenyl}-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one | | Formula: | C20 H23 N3 O3 S | | SMILES: | c1c(c(ccc1S(CC)(=O)=O)NCC2CC2)C=3c4c(C(N(C=3)C)=O)ncc4 | | InChi: | InChI=1S/C20H23N3O3S/c1-3-27(25,26)14-6-7-18(22-11-13-4-5-13)16(10-14)17-12-23(2)20(24)19-15(17)8-9-21-19/h6-10,12-13,21-22H,3-5,11H2,1-2H3 | | Definition date: | 2017-02-22 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | 4-{2-[(cyclopropylmethyl)amino]-5-(ethylsulfonyl)phenyl}-6-methyl-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one |
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 | | 98E | | Name: | (S)-N-(5-chloro-3-((4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl)methyl)-2-methylphenyl)-2-methylpyrimidine-5-carboxamide | | Formula: | C25 H32 Cl N5 O2 | | SMILES: | C[CH]1CN(CCN1C(=O)C2CCCC2)Cc3cc(Cl)cc(NC(=O)c4cnc(C)nc4)c3C | | InChi: | InChI=1S/C25H32ClN5O2/c1-16-14-30(8-9-31(16)25(33)19-6-4-5-7-19)15-20-10-22(26)11-23(17(20)2)29-24(32)21-12-27-18(3)28-13-21/h10-13,16,19H,4-9,14-15H2,1-3H3,(H,29,32)/t16-/m0/s1 | | Definition date: | 2017-04-28 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | ~{N}-[5-chloranyl-3-[[(3~{S})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-2-methyl-phenyl]-2-methyl-pyrimidine-5-carboxamide |
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 | | 98H | | Name: | (5R,10S,13R,14R,17R)-17-((R,E)-7-hydroxy-6-methylhept-5-en-2-yl)-4,4,10,13,14-pentamethyl-1,2,5,6,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-3,7(4H)-dione | | Formula: | C30 H46 O3 | | SMILES: | C[CH](CCC=C(C)CO)[CH]1CC[C]2(C)C3=C(CC[C]12C)[C]4(C)CCC(=O)C(C)(C)[CH]4CC3=O | | InChi: | InChI=1S/C30H46O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,20-21,24,31H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,28-,29-,30+/m1/s1 | | Definition date: | 2017-04-28 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | (5~{R},10~{S},13~{R},14~{R},17~{R})-4,4,10,13,14-pentamethyl-17-[(~{E},2~{R})-6-methyl-7-oxidanyl-hept-5-en-2-yl]-2,5,6,11,12,15,16,17-octahydro-1~{H}-cyclopenta[a]phenanthrene-3,7-dione |
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 | | 98N | | Name: | (S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-(((1r,4S)-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide | | Formula: | C27 H35 F3 N4 O3 S | | SMILES: | CC[S](=O)(=O)c1ccc(CNC(=O)c2cnc3[CH](C(C)C)N(C[CH]4CC[CH](CC4)C(F)(F)F)Cc3c2)nc1 | | InChi: | InChI=1S/C27H35F3N4O3S/c1-4-38(36,37)23-10-9-22(31-14-23)13-33-26(35)19-11-20-16-34(25(17(2)3)24(20)32-12-19)15-18-5-7-21(8-6-18)27(28,29)30/h9-12,14,17-18,21,25H,4-8,13,15-16H2,1-3H3,(H,33,35)/t18-,21-,25-/m0/s1 | | Definition date: | 2017-04-28 | | Last modified: | 2017-06-16 | | Release date: | 2017-06-21 | | Identifier: | (7~{S})-~{N}-[(5-ethylsulfonylpyridin-2-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide |
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