 | | EHT | | Name: | 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole | | Formula: | C14 H14 N4 O | | SMILES: | Cn1cnc(c1c2ccncc2)c3c(C)onc3C | | InChi: | InChI=1S/C14H14N4O/c1-9-12(10(2)19-17-9)13-14(18(3)8-16-13)11-4-6-15-7-5-11/h4-8H,1-3H3 | | Definition date: | 2018-03-23 | | Last modified: | 2019-06-21 | | Release date: | 2019-06-26 | | Identifier: | 3,5-dimethyl-4-(1-methyl-5-pyridin-4-yl-imidazol-4-yl)-1,2-oxazole |
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 | | EHW | | Name: | 4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole | | Formula: | C18 H15 F N4 O | | SMILES: | Cn1cnc(c1c2ccnc3cc(F)ccc23)c4c(C)onc4C | | InChi: | InChI=1S/C18H15FN4O/c1-10-16(11(2)24-22-10)17-18(23(3)9-21-17)14-6-7-20-15-8-12(19)4-5-13(14)15/h4-9H,1-3H3 | | Definition date: | 2018-03-23 | | Last modified: | 2019-06-21 | | Release date: | 2019-06-26 | | Identifier: | 4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-1,2-oxazole |
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 | | EJE | | Name: | [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine | | Formula: | C22 H21 F N4 | | SMILES: | Cn1cnc(c1c2ccnc3cc(F)ccc23)c4c(C)cc(CN)cc4C | | InChi: | InChI=1S/C22H21FN4/c1-13-8-15(11-24)9-14(2)20(13)21-22(27(3)12-26-21)18-6-7-25-19-10-16(23)4-5-17(18)19/h4-10,12H,11,24H2,1-3H3 | | Definition date: | 2018-03-23 | | Last modified: | 2019-06-21 | | Release date: | 2019-06-26 | | Identifier: | [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine |
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 | | F9Q | | Name: | 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine | | Formula: | C15 H11 Cl F N5 | | SMILES: | Cc1cc(cc(Cl)n1)c2nnc(N)nc2c3ccc(F)cc3 | | InChi: | InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22) | | Definition date: | 2018-06-15 | | Last modified: | 2019-06-21 | | Release date: | 2019-06-26 | | Identifier: | 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine |
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 | | KZP | | Name: | 5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine | | Formula: | C25 H20 Cl N7 | | SMILES: | c2cnc(Nc1ccc(Cl)cc1)c5c2c(C#Cc4c3c(N)ncnc3n(CC)n4)c(cc5)C | | InChi: | InChI=1S/C25H20ClN7/c1-3-33-25-22(23(27)29-14-30-25)21(32-33)11-10-18-15(2)4-9-20-19(18)12-13-28-24(20)31-17-7-5-16(26)6-8-17/h4-9,12-14H,3H2,1-2H3,(H,28,31)(H2,27,29,30) | | Definition date: | 2019-01-28 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine |
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 | | J4G | | Name: | 3'-deoxy-3'-[(L-alpha-glutamyl)amino]adenosine 5'-(dihydrogen phosphate) | | Formula: | C15 H22 N7 O9 P | | SMILES: | NC(C(NC3C(C(n2c1c(c(ncn1)N)nc2)OC3COP(O)(=O)O)O)=O)CCC(O)=O | | InChi: | InChI=1S/C15H22N7O9P/c16-6(1-2-8(23)24)14(26)21-9-7(3-30-32(27,28)29)31-15(11(9)25)22-5-20-10-12(17)18-4-19-13(10)22/h4-7,9,11,15,25H,1-3,16H2,(H,21,26)(H,23,24)(H2,17,18,19)(H2,27,28,29)/t6-,7+,9+,11+,15+/m0/s1 | | Definition date: | 2018-08-09 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 3'-deoxy-3'-[(L-alpha-glutamyl)amino]adenosine 5'-(dihydrogen phosphate) |
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 | | 7YC | | Name: | (E)-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile | | Formula: | C14 H13 N3 O6 | | SMILES: | Oc1cc(C=C(C#N)C(=O)N2CCCOC2)cc(c1O)[N+]([O-])=O | | InChi: | InChI=1S/C14H13N3O6/c15-7-10(14(20)16-2-1-3-23-8-16)4-9-5-11(17(21)22)13(19)12(18)6-9/h4-6,18-19H,1-3,8H2/b10-4+ | | Definition date: | 2017-02-09 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | (~{E})-3-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-(1,3-oxazinan-3-ylcarbonyl)prop-2-enenitrile |
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 | | ND1 | | Name: | (2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide | | Formula: | C30 H29 F4 N5 O2 | | SMILES: | c1cc(cnc1OCCNC[C@H]=[C@H]C(N(C)C)=O)C(=C(/c2ccccc2)CC(F)(F)F)c4cc3c(F)nnc3cc4 | | InChi: | InChI=1S/C30H29F4N5O2/c1-39(2)27(40)9-6-14-35-15-16-41-26-13-11-22(19-36-26)28(21-10-12-25-23(17-21)29(31)38-37-25)24(18-30(32,33)34)20-7-4-3-5-8-20/h3-13,17,19,35H,14-16,18H2,1-2H3,(H,37,38)/b9-6?,28-24- | | Definition date: | 2019-05-10 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | (2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide |
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 | | MVM | | Name: | N-(3-chloropyridin-2-yl)-N-[(3R)-piperidin-3-yl]-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide | | Formula: | C22 H20 Cl N7 O | | SMILES: | C1CC(CNC1)N(c2c(Cl)cccn2)C(c3ccc(cc3)n5c4ncccc4nn5)=O | | InChi: | InChI=1S/C22H20ClN7O/c23-18-5-2-12-25-20(18)29(17-4-1-11-24-14-17)22(31)15-7-9-16(10-8-15)30-21-19(27-28-30)6-3-13-26-21/h2-3,5-10,12-13,17,24H,1,4,11,14H2/t17-/m1/s1 | | Definition date: | 2019-04-17 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | N-(3-chloropyridin-2-yl)-N-[(3R)-piperidin-3-yl]-4-(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yl)benzamide |
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 | | 9NL | | Name: | (2R)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid | | Formula: | C9 H8 F2 O3 | | SMILES: | OC(=O)C(C(c1ccccc1)(F)F)O | | InChi: | InChI=1S/C9H8F2O3/c10-9(11,7(12)8(13)14)6-4-2-1-3-5-6/h1-5,7,12H,(H,13,14)/t7-/m1/s1 | | Definition date: | 2018-06-06 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | (2R)-3,3-difluoro-2-hydroxy-3-phenylpropanoic acid |
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 | | 9NO | | Name: | 3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid | | Formula: | C9 H8 F2 O4 | | SMILES: | O=C(O)C(C(c1ccccc1)(F)F)(O)O | | InChi: | InChI=1S/C9H8F2O4/c10-8(11,9(14,15)7(12)13)6-4-2-1-3-5-6/h1-5,14-15H,(H,12,13) | | Definition date: | 2018-06-11 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 3,3-difluoro-2,2-dihydroxy-3-phenylpropanoic acid |
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 | | 9O0 | | Name: | (2R)-3,3,3-trifluoro-2-hydroxypropanoic acid | | Formula: | C3 H3 F3 O3 | | SMILES: | OC(=O)C(C(F)(F)F)O | | InChi: | InChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)/t1-/m1/s1 | | Definition date: | 2018-06-11 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | (2R)-3,3,3-trifluoro-2-hydroxypropanoic acid |
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 | | 9O3 | | Name: | 3,3,3-trifluoro-2,2-dihydroxypropanoic acid | | Formula: | C3 H3 F3 O4 | | SMILES: | C(C(C(O)=O)(O)O)(F)(F)F | | InChi: | InChI=1S/C3H3F3O4/c4-3(5,6)2(9,10)1(7)8/h9-10H,(H,7,8) | | Definition date: | 2018-06-12 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 3,3,3-trifluoro-2,2-dihydroxypropanoic acid |
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 | | 9O6 | | Name: | (2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic acid | | Formula: | C9 H9 F O3 | | SMILES: | c1cccc(c1)C(C(O)C(=O)O)F | | InChi: | InChI=1S/C9H9FO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,12,13)/t7-,8-/m0/s1 | | Definition date: | 2018-06-12 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | (2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic acid |
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 | | 9OC | | Name: | 1-deoxy-1-[7,8-dimethyl-2,4-dioxo-5-(phenylacetyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol | | Formula: | C25 H29 N4 O10 P | | SMILES: | C2(C=3N(c1cc(C)c(C)cc1N(C=3NC(N2)=O)CC(C(C(COP(O)(O)=O)O)O)O)C(Cc4ccccc4)=O)=O | | InChi: | InChI=1S/C25H29N4O10P/c1-13-8-16-17(9-14(13)2)29(20(32)10-15-6-4-3-5-7-15)21-23(26-25(35)27-24(21)34)28(16)11-18(30)22(33)19(31)12-39-40(36,37)38/h3-9,18-19,22,30-31,33H,10-12H2,1-2H3,(H2,36,37,38)(H2,26,27,34,35)/t18-,19+,22-/m0/s1 | | Definition date: | 2018-06-13 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 1-deoxy-1-[7,8-dimethyl-2,4-dioxo-5-(phenylacetyl)-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol |
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 | | 9OU | | Name: | 1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol | | Formula: | C24 H27 N4 O10 P | | SMILES: | C1(C3=C(NC(N1)=O)N(c2c(cc(C)c(C)c2)N3C(=O)c4ccccc4)CC(C(C(COP(=O)(O)O)O)O)O)=O | | InChi: | InChI=1S/C24H27N4O10P/c1-12-8-15-16(9-13(12)2)28(23(33)14-6-4-3-5-7-14)19-21(25-24(34)26-22(19)32)27(15)10-17(29)20(31)18(30)11-38-39(35,36)37/h3-9,17-18,20,29-31H,10-11H2,1-2H3,(H2,35,36,37)(H2,25,26,32,34)/t17-,18+,20-/m0/s1 | | Definition date: | 2018-06-15 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 1-[5-(benzenecarbonyl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol |
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 | | 9P3 | | Name: | 1-[(1aR,11R)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol | | Formula: | C19 H24 N4 O11 P | | SMILES: | C2=4N(c1cc(C)c(C)cc1[N+]3(C2(O3)C(=O)NC(N=4)=O)C(C)=O)CC(C(C(O)COP(O)(O)=O)O)O | | InChi: | InChI=1S/C19H23N4O11P/c1-8-4-11-12(5-9(8)2)23(10(3)24)19(34-23)16(20-18(29)21-17(19)28)22(11)6-13(25)15(27)14(26)7-33-35(30,31)32/h4-5,13-15,25-27H,6-7H2,1-3H3,(H2-,21,28,29,30,31,32)/p+1/t13-,14+,15-,19+,23+/m0/s1 | | Definition date: | 2018-06-15 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 1-[(1aR,11R)-11-acetyl-8,9-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]oxazireno[3,2-e]pteridin-11-ium-6(2H)-yl]-1-deoxy-5-O-phosphono-D-ribitol |
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 | | 9P9 | | Name: | 1-{5-[(3S)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-1-deoxy-5-O-phosphono-D-ribitol | | Formula: | C22 H28 F N4 O13 P | | SMILES: | OP(=O)(O)OCC(O)C(C(CN2c1cc(C)c(C)cc1N(C(=O)CC(C(O)=O)(O)CF)C3=C2NC(NC3=O)=O)O)O | | InChi: | InChI=1S/C22H28FN4O13P/c1-9-3-11-12(4-10(9)2)27(15(30)5-22(36,8-23)20(33)34)16-18(24-21(35)25-19(16)32)26(11)6-13(28)17(31)14(29)7-40-41(37,38)39/h3-4,13-14,17,28-29,31,36H,5-8H2,1-2H3,(H,33,34)(H2,37,38,39)(H2,24,25,32,35)/t13-,14+,17-,22+/m0/s1 | | Definition date: | 2018-06-20 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 1-{5-[(3S)-3-carboxy-4-fluoro-3-hydroxybutanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-1-deoxy-5-O-phosphono-D-ribitol |
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 | | 9PF | | Name: | 1-deoxy-1-{5-[(1S)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-5-O-phosphono-D-ribitol | | Formula: | C19 H26 F N4 O10 P | | SMILES: | Cc1cc2c(cc1C)N(C(O)CF)C3=C(N2CC(C(O)C(COP(O)(O)=O)O)O)NC(NC3=O)=O | | InChi: | InChI=1S/C19H26FN4O10P/c1-8-3-10-11(4-9(8)2)24(14(27)5-20)15-17(21-19(30)22-18(15)29)23(10)6-12(25)16(28)13(26)7-34-35(31,32)33/h3-4,12-14,16,25-28H,5-7H2,1-2H3,(H2,31,32,33)(H2,21,22,29,30)/t12-,13+,14-,16-/m0/s1 | | Definition date: | 2018-06-20 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 1-deoxy-1-{5-[(1S)-2-fluoro-1-hydroxyethyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-5-O-phosphono-D-ribitol |
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 | | 9PX | | Name: | 1-deoxy-1-[(4aS)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol | | Formula: | C19 H25 N4 O13 P | | SMILES: | Cc1cc3c(cc1C)N(C=2C(C(=O)NC(N=2)=O)(N3)OOC(=O)OC)CC(C(C(O)COP(O)(=O)O)O)O | | InChi: | InChI=1S/C19H25N4O13P/c1-8-4-10-11(5-9(8)2)23(6-12(24)14(26)13(25)7-34-37(30,31)32)15-19(22-10,36-35-18(29)33-3)16(27)21-17(28)20-15/h4-5,12-14,22,24-26H,6-7H2,1-3H3,(H,21,27,28)(H2,30,31,32)/t12-,13+,14-,19-/m0/s1 | | Definition date: | 2018-06-20 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 1-deoxy-1-[(4aS)-4a-[(methoxycarbonyl)peroxy]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol |
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 | | 9Q0 | | Name: | 1-{5-[(1S)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-5-O-phosphono-D-ribitol | | Formula: | C25 H30 N5 O11 P | | SMILES: | C4(c2c([n+](c1cc(c(cc1[n+]2C(c3ccccc3)(C(=O)N)O)C)C)CC(C(C(O)COP(O)(O)=O)O)O)NC(N4)=O)=O | | InChi: | InChI=1S/C25H28N5O11P/c1-12-8-15-16(9-13(12)2)30(25(37,23(26)35)14-6-4-3-5-7-14)19-21(27-24(36)28-22(19)34)29(15)10-17(31)20(33)18(32)11-41-42(38,39)40/h3-9,17-18,20,31-33,37H,10-11H2,1-2H3,(H4-,26,28,34,35,36,38,39,40)/p+2/t17-,18+,20-,25-/m0/s1 | | Definition date: | 2018-06-20 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 1-{5-[(1S)-2-amino-1-hydroxy-2-oxo-1-phenylethyl]-7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridine-5,10-diium-10-yl}-1-deoxy-5-O-phosphono-D-ribitol |
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 | | 9Q6 | | Name: | 1-deoxy-1-[(4aS)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol | | Formula: | C17 H23 N4 O10 P | | SMILES: | Cc1cc3c(cc1C)N(C=2C(C(=O)NC(N=2)=O)(O)N3)CC(C(C(O)COP(O)(O)=O)O)O | | InChi: | InChI=1S/C17H23N4O10P/c1-7-3-9-10(4-8(7)2)21(14-17(27,20-9)15(25)19-16(26)18-14)5-11(22)13(24)12(23)6-31-32(28,29)30/h3-4,11-13,20,22-24,27H,5-6H2,1-2H3,(H,19,25,26)(H2,28,29,30)/t11-,12+,13-,17-/m0/s1 | | Definition date: | 2018-06-20 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 1-deoxy-1-[(4aS)-4a-hydroxy-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol |
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 | | 9QF | | Name: | [(2~{R},3~{S},4~{S})-5-[(4~{a}~{S})-4~{a}-(dioxidanyl)-7,8-dimethyl-2,4-bis(oxidanylidene)-5~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate | | Formula: | C17 H23 N4 O11 P | | SMILES: | Cc1cc2N[C]3(OO)C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C | | InChi: | InChI=1S/C17H23N4O11P/c1-7-3-9-10(4-8(7)2)21(5-11(22)13(24)12(23)6-31-33(28,29)30)14-17(20-9,32-27)15(25)19-16(26)18-14/h3-4,11-13,20,22-24,27H,5-6H2,1-2H3,(H,19,25,26)(H2,28,29,30)/t11-,12+,13-,17-/m0/s1 | | Definition date: | 2018-06-21 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | [(2~{R},3~{S},4~{S})-5-[(4~{a}~{S})-4~{a}-(dioxidanyl)-7,8-dimethyl-2,4-bis(oxidanylidene)-5~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] dihydrogen phosphate |
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 | | JXA | | Name: | (2R,3S,4R)-2-{[4-(3,5-dichlorophenyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol | | Formula: | C13 H14 Cl2 N4 O2 | | SMILES: | C1(C(CNC1Cn3cc(c2cc(cc(Cl)c2)Cl)nn3)O)O | | InChi: | InChI=1S/C13H14Cl2N4O2/c14-8-1-7(2-9(15)3-8)10-5-19(18-17-10)6-11-13(21)12(20)4-16-11/h1-3,5,11-13,16,20-21H,4,6H2/t11-,12-,13+/m1/s1 | | Definition date: | 2018-10-08 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | (2R,3S,4R)-2-{[4-(3,5-dichlorophenyl)-1H-1,2,3-triazol-1-yl]methyl}pyrrolidine-3,4-diol |
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 | | H8A | | Name: | 3-{[(3R)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile | | Formula: | C18 H15 N5 O2 | | SMILES: | c2(Oc1cccc(c1)C#N)c4c(c3c(c2)nc(nc3N)N)OCC4C | | InChi: | InChI=1S/C18H15N5O2/c1-9-8-24-16-14(9)13(25-11-4-2-3-10(5-11)7-19)6-12-15(16)17(20)23-18(21)22-12/h2-6,9H,8H2,1H3,(H4,20,21,22,23)/t9-/m0/s1 | | Definition date: | 2018-06-15 | | Last modified: | 2019-06-14 | | Release date: | 2019-06-19 | | Identifier: | 3-{[(3R)-7,9-diamino-3-methyl-2,3-dihydrofuro[2,3-f]quinazolin-4-yl]oxy}benzonitrile |
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