 | | BQ9 | | Name: | (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate | | Formula: | C29 H50 O5 | | SMILES: | C(=O)(CCCC=CCC=[C@H]C[C@H]=CCC)OC(CO)COC(CCCCCCCCCCC)=O | | InChi: | InChI=1S/C29H50O5/c1-3-5-7-9-11-13-14-16-18-20-22-24-29(32)34-27(25-30)26-33-28(31)23-21-19-17-15-12-10-8-6-4-2/h5,7,11,13,16,18,27,30H,3-4,6,8-10,12,14-15,17,19-26H2,1-2H3/b7-5+,13-11+,18-16+/t27-/m1/s1 | | Definition date: | 2019-02-28 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate |
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 | | J3Y | | Name: | [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone | | Formula: | C23 H24 F N7 O2 | | SMILES: | c1(nc3c(cc1)c(cn3c2cc(C)nn2)C(N4CCOCC4)=O)NC(C)c5ncc(cc5)F | | InChi: | InChI=1S/C23H24FN7O2/c1-14-11-21(29-28-14)31-13-18(23(32)30-7-9-33-10-8-30)17-4-6-20(27-22(17)31)26-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1 | | Definition date: | 2018-08-08 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone |
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 | | J4M | | Name: | N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine | | Formula: | C18 H16 F2 N6 | | SMILES: | c4(NC(c1ccc(cc1F)F)C)ccc2n(c(cn2)c3cc(C)nn3)n4 | | InChi: | InChI=1S/C18H16F2N6/c1-10-7-15(24-23-10)16-9-21-18-6-5-17(25-26(16)18)22-11(2)13-4-3-12(19)8-14(13)20/h3-9,11H,1-2H3,(H,22,25)(H,23,24)/t11-/m0/s1 | | Definition date: | 2018-08-10 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | N-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-b]pyridazin-6-amine |
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 | | BYO | | Name: | (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione | | Formula: | C22 H25 N O2 | | SMILES: | C[CH]1CCC[CH]2C=C[CH](C)[C]3([CH]12)C(=O)NC=C(C3=O)c4ccccc4 | | InChi: | InChI=1S/C22H25NO2/c1-14-7-6-10-17-12-11-15(2)22(19(14)17)20(24)18(13-23-21(22)25)16-8-4-3-5-9-16/h3-5,8-9,11-15,17,19H,6-7,10H2,1-2H3,(H,23,25)/t14-,15-,17+,19+,22+/m1/s1 | | Definition date: | 2019-03-29 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione |
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 | | HZE | | Name: | 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide | | Formula: | C22 H24 F2 N4 O2 | | SMILES: | CC(C)Oc1cc(ccc1c2c([nH]c3cc(F)c(F)cc23)C(N)=O)N4CCNCC4 | | InChi: | InChI=1S/C22H24F2N4O2/c1-12(2)30-19-9-13(28-7-5-26-6-8-28)3-4-14(19)20-15-10-16(23)17(24)11-18(15)27-21(20)22(25)29/h3-4,9-12,26-27H,5-8H2,1-2H3,(H2,25,29) | | Definition date: | 2019-01-08 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | 5,6-bis(fluoranyl)-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide |
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 | | HZK | | Name: | (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyrrolidine-3-carboxamide | | Formula: | C21 H19 Cl F N3 O4 | | SMILES: | O[C]1(CCN(C1=O)c2ccc3NC(=O)CCc3c2)C(=O)NCc4cc(F)cc(Cl)c4 | | InChi: | InChI=1S/C21H19ClFN3O4/c22-14-7-12(8-15(23)10-14)11-24-19(28)21(30)5-6-26(20(21)29)16-2-3-17-13(9-16)1-4-18(27)25-17/h2-3,7-10,30H,1,4-6,11H2,(H,24,28)(H,25,27)/t21-/m0/s1 | | Definition date: | 2019-01-08 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)pyrrolidine-3-carboxamide |
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 | | HZW | | Name: | (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide | | Formula: | C18 H16 Cl F N2 O3 | | SMILES: | O[C]1(CCN(C1=O)c2ccccc2)C(=O)NCc3cc(F)cc(Cl)c3 | | InChi: | InChI=1S/C18H16ClFN2O3/c19-13-8-12(9-14(20)10-13)11-21-16(23)18(25)6-7-22(17(18)24)15-4-2-1-3-5-15/h1-5,8-10,25H,6-7,11H2,(H,21,23)/t18-/m0/s1 | | Definition date: | 2019-01-08 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | (3~{S})-~{N}-[(3-chloranyl-5-fluoranyl-phenyl)methyl]-3-oxidanyl-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxamide |
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 | | FCQ | | Name: | 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | | Formula: | C22 H25 N7 S | | SMILES: | CC(C)c1[nH]nc2c(NCc3ccc(cc3)c4ccccn4)nc(SCCN)nc12 | | InChi: | InChI=1S/C22H25N7S/c1-14(2)18-19-20(29-28-18)21(27-22(26-19)30-12-10-23)25-13-15-6-8-16(9-7-15)17-5-3-4-11-24-17/h3-9,11,14H,10,12-13,23H2,1-2H3,(H,28,29)(H,25,26,27) | | Definition date: | 2018-06-20 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
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 | | KKS | | Name: | 3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one | | Formula: | C23 H17 N5 O2 | | SMILES: | c5cc4cccc(CC=1C=C(O)C(NC=1c2ccc(cc2)c3nnnn3)=O)c4cc5 | | InChi: | InChI=1S/C23H17N5O2/c29-20-13-18(12-17-6-3-5-14-4-1-2-7-19(14)17)21(24-23(20)30)15-8-10-16(11-9-15)22-25-27-28-26-22/h1-11,13,29H,12H2,(H,24,30)(H,25,26,27,28) | | Definition date: | 2019-01-02 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | 3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one |
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 | | KKV | | Name: | 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid | | Formula: | C18 H12 F N O4 | | SMILES: | O=C2C(O)=CC(c1ccc(cc1)C(=O)O)=C(N2)c3ccc(cc3)F | | InChi: | InChI=1S/C18H12FNO4/c19-13-7-5-11(6-8-13)16-14(9-15(21)17(22)20-16)10-1-3-12(4-2-10)18(23)24/h1-9,21H,(H,20,22)(H,23,24) | | Definition date: | 2019-01-02 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | 4-[2-(4-fluorophenyl)-5-hydroxy-6-oxo-1,6-dihydropyridin-3-yl]benzoic acid |
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 | | FQ1 | | Name: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate | | Formula: | C29 H38 F2 N2 O8 S | | SMILES: | c1(OC)ccc(cc1)S(=O)(N(CC(C(Cc2cc(cc(c2)F)F)NC(=O)OC3CCOC4OCCC34)O)CC(C)C)=O | | InChi: | InChI=1S/C29H38F2N2O8S/c1-18(2)16-33(42(36,37)23-6-4-22(38-3)5-7-23)17-26(34)25(14-19-12-20(30)15-21(31)13-19)32-29(35)41-27-9-11-40-28-24(27)8-10-39-28/h4-7,12-13,15,18,24-28,34H,8-11,14,16-17H2,1-3H3,(H,32,35)/t24-,25-,26+,27-,28+/m0/s1 | | Definition date: | 2018-04-11 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate |
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 | | FQ4 | | Name: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate | | Formula: | C29 H39 F N2 O8 S | | SMILES: | c1(OC)ccc(cc1)S(=O)(N(CC(C)C)CC(C(Cc2ccc(cc2)F)NC(=O)OC3CCOC4C3CCO4)O)=O | | InChi: | InChI=1S/C29H39FN2O8S/c1-19(2)17-32(41(35,36)23-10-8-22(37-3)9-11-23)18-26(33)25(16-20-4-6-21(30)7-5-20)31-29(34)40-27-13-15-39-28-24(27)12-14-38-28/h4-11,19,24-28,33H,12-18H2,1-3H3,(H,31,34)/t24-,25-,26+,27-,28+/m0/s1 | | Definition date: | 2018-04-11 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate |
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 | | FWG | | Name: | cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone | | Formula: | C21 H27 N3 O3 S | | SMILES: | C1CN(CCN1C(=O)C2CCCCCC2)S(=O)(=O)c4c3ccncc3ccc4 | | InChi: | InChI=1S/C21H27N3O3S/c25-21(17-6-3-1-2-4-7-17)23-12-14-24(15-13-23)28(26,27)20-9-5-8-18-16-22-11-10-19(18)20/h5,8-11,16-17H,1-4,6-7,12-15H2 | | Definition date: | 2018-04-23 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone |
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 | | FWJ | | Name: | 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one | | Formula: | C21 H20 F N3 O3 S | | SMILES: | C1CN(CCN1C(Cc2ccc(F)cc2)=O)S(c4c3ccncc3ccc4)(=O)=O | | InChi: | InChI=1S/C21H20FN3O3S/c22-18-6-4-16(5-7-18)14-21(26)24-10-12-25(13-11-24)29(27,28)20-3-1-2-17-15-23-9-8-19(17)20/h1-9,15H,10-14H2 | | Definition date: | 2018-04-23 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one |
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 | | FWM | | Name: | 2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one | | Formula: | C21 H27 N3 O3 S | | SMILES: | C1CN(CCN1C(=O)CC2CCCCC2)S(=O)(=O)c4c3ccncc3ccc4 | | InChi: | InChI=1S/C21H27N3O3S/c25-21(15-17-5-2-1-3-6-17)23-11-13-24(14-12-23)28(26,27)20-8-4-7-18-16-22-10-9-19(18)20/h4,7-10,16-17H,1-3,5-6,11-15H2 | | Definition date: | 2018-04-23 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | 2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one |
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 | | FWP | | Name: | 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one | | Formula: | C23 H25 N3 O5 S | | SMILES: | C1CN(CCN1C(Cc2c(cc(OC)cc2)OC)=O)S(=O)(=O)c4c3ccncc3ccc4 | | InChi: | InChI=1S/C23H25N3O5S/c1-30-19-7-6-17(21(15-19)31-2)14-23(27)25-10-12-26(13-11-25)32(28,29)22-5-3-4-18-16-24-9-8-20(18)22/h3-9,15-16H,10-14H2,1-2H3 | | Definition date: | 2018-04-23 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one |
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 | | FWS | | Name: | (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide | | Formula: | C22 H22 N4 O5 S | | SMILES: | c15OCOc1ccc(NC(N2C(C)CN(CC2)S(c4c3ccncc3ccc4)(=O)=O)=O)c5 | | InChi: | InChI=1S/C22H22N4O5S/c1-15-13-25(32(28,29)21-4-2-3-16-12-23-8-7-18(16)21)9-10-26(15)22(27)24-17-5-6-19-20(11-17)31-14-30-19/h2-8,11-12,15H,9-10,13-14H2,1H3,(H,24,27)/t15-/m0/s1 | | Definition date: | 2018-04-23 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide |
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 | | FWV | | Name: | N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide | | Formula: | C20 H18 Cl2 N4 O3 S | | SMILES: | C(=O)(Nc1cccc(Cl)c1Cl)N2CCN(CC2)S(c4c3ccncc3ccc4)(=O)=O | | InChi: | InChI=1S/C20H18Cl2N4O3S/c21-16-4-2-5-17(19(16)22)24-20(27)25-9-11-26(12-10-25)30(28,29)18-6-1-3-14-13-23-8-7-15(14)18/h1-8,13H,9-12H2,(H,24,27) | | Definition date: | 2018-04-23 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide |
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 | | FWY | | Name: | hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium | | Formula: | C20 H19 N4 O5 S | | SMILES: | C(N1CCN(CC1)S(c2cccc3c2ccnc3)(=O)=O)(c4cccc([N+](O)=O)c4)=O | | InChi: | InChI=1S/C20H19N4O5S/c25-20(15-3-1-5-17(13-15)24(26)27)22-9-11-23(12-10-22)30(28,29)19-6-2-4-16-14-21-8-7-18(16)19/h1-8,13-14H,9-12H2,(H,26,27)/q+1 | | Definition date: | 2018-04-23 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium |
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 | | LRM | | Name: | 2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-({(2R,3R,4R,5R)-3-{[(R)-{[(2R,3R,4R,5R)-3-{[(S)-{[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-{[(S)-hydroxy{[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9H-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3H-purin-7-ium | | Formula: | C56 H79 N20 O38 P6 | | SMILES: | CN(c1ncnc2n(cnc12)C6C(C(C(COP(OP(OP(OCC3C(O)C(O)C(O3)n5c4NC(N)=NC(c4[n+](c5)C)=O)(O)=O)(O)=O)(=O)O)O6)OP(=O)(O)OCC9C(C(C(n8cnc7c(N)ncnc78)O9)OC)OP(O)(OCC%11C(C(OC)C(N%10C(=O)N=C(N)C=C%10)O%11)OP(=O)(OCC%12OC(C(OC)C%12O)N%13C=CC(N(C%13=O)C)=O)O)=O)OC)C | | InChi: | InChI=1S/C56H78N20O38P6/c1-69(2)44-31-46(63-19-61-44)75(21-65-31)53-42(99-8)38(27(109-53)17-104-119(92,93)114-120(94,95)113-118(90,91)103-13-23-33(78)35(80)49(105-23)76-22-70(3)32-47(76)67-54(59)68-48(32)81)112-117(88,89)102-16-26-37(41(98-7)52(108-26)74-20-64-30-43(58)60-18-62-45(30)74)111-116(86,87)101-15-25-36(40(97-6)51(107-25)72-11-9-28(57)66-55(72)82)110-115(84,85)100-14-24-34(79)39(96-5)50(106-24)73-12-10-29(77)71(4)56(73)83/h9-12,18-27,33-42,49-53,78-80H,13-17H2,1-8H3,(H12-,57,58,59,60,62,66,67,68,81,82,84,85,86,87,88,89,90,91,92,93,94,95)/p+1/t23-,24-,25-,26-,27-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,49-,50-,51-,52-,53-/m1/s1 | | Definition date: | 2019-03-13 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | 2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-({(2R,3R,4R,5R)-3-{[(R)-{[(2R,3R,4R,5R)-3-{[(S)-{[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-{[(S)-hydroxy{[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9H-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3H-purin-7-ium (non-preferred name) |
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 | | LRP | | Name: | 2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(R)-({(2R,3R,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium | | Formula: | C24 H36 N10 O17 P3 | | SMILES: | n2c1c(ncnc1N(C)C)n(c2)C6OC(COP(=O)(O)OP(OP(O)(OCC3C(O)C(C(O3)n5c4N=C(N)NC(c4[n+](c5)C)=O)O)=O)(O)=O)C(C6OC)O | | InChi: | InChI=1S/C24H35N10O17P3/c1-31(2)18-12-19(27-7-26-18)33(8-28-12)23-17(45-4)15(36)11(49-23)6-47-53(41,42)51-54(43,44)50-52(39,40)46-5-10-14(35)16(37)22(48-10)34-9-32(3)13-20(34)29-24(25)30-21(13)38/h7-11,14-17,22-23,35-37H,5-6H2,1-4H3,(H5-,25,29,30,38,39,40,41,42,43,44)/p+1/t10-,11-,14-,15-,16-,17-,22-,23-/m1/s1 | | Definition date: | 2019-03-13 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | 2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(R)-({(2R,3R,4R,5R)-5-[6-(dimethylamino)-9H-purin-9-yl]-3-hydroxy-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium (non-preferred name) |
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 | | JRQ | | Name: | ethyl 2-[(2~{R})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate | | Formula: | C16 H22 N2 O3 | | SMILES: | CCOC(=O)C[CH]1N(CCNC1=O)Cc2ccc(C)cc2 | | InChi: | InChI=1S/C16H22N2O3/c1-3-21-15(19)10-14-16(20)17-8-9-18(14)11-13-6-4-12(2)5-7-13/h4-7,14H,3,8-11H2,1-2H3,(H,17,20)/t14-/m1/s1 | | Definition date: | 2019-03-22 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | ethyl 2-[(2~{R})-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-2-yl]ethanoate |
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 | | K47 | | Name: | [(3S)-3-{[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone | | Formula: | C22 H29 N7 O3 | | SMILES: | n1(c3c(nc1c2c(C)n(nc2)CC)c(ncn3)OC5CN(C(=O)C4CCOCC4)CC5)C | | InChi: | InChI=1S/C22H29N7O3/c1-4-29-14(2)17(11-25-29)19-26-18-20(27(19)3)23-13-24-21(18)32-16-5-8-28(12-16)22(30)15-6-9-31-10-7-15/h11,13,15-16H,4-10,12H2,1-3H3/t16-/m0/s1 | | Definition date: | 2018-10-26 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | [(3S)-3-{[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]oxy}pyrrolidin-1-yl](oxan-4-yl)methanone |
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 | | K4A | | Name: | 1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one | | Formula: | C23 H26 N10 O | | SMILES: | n1(c6c(nc1c2c(C)n(nc2)CC)c(N3CCC(CC3)N4c5c(NC4=O)nccc5)ncn6)C | | InChi: | InChI=1S/C23H26N10O/c1-4-32-14(2)16(12-27-32)20-28-18-21(30(20)3)25-13-26-22(18)31-10-7-15(8-11-31)33-17-6-5-9-24-19(17)29-23(33)34/h5-6,9,12-13,15H,4,7-8,10-11H2,1-3H3,(H,24,29,34) | | Definition date: | 2018-10-26 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | 1-{1-[8-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one |
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 | | K4K | | Name: | (3~{S})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{N}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide | | Formula: | C17 H18 N2 O3 S | | SMILES: | O[C]1(CCN(C1=O)c2ccccc2)C(=O)NCCc3sccc3 | | InChi: | InChI=1S/C17H18N2O3S/c20-15(18-10-8-14-7-4-12-23-14)17(22)9-11-19(16(17)21)13-5-2-1-3-6-13/h1-7,12,22H,8-11H2,(H,18,20)/t17-/m0/s1 | | Definition date: | 2019-04-23 | | Last modified: | 2019-04-26 | | Release date: | 2019-05-01 | | Identifier: | (3~{S})-3-oxidanyl-2-oxidanylidene-1-phenyl-~{N}-(2-thiophen-2-ylethyl)pyrrolidine-3-carboxamide |
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