![O6D O6D](https://data.pdbj.org/pdbjplus/data/cc/svg/O6D.svg) | O6D | Name: | (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid | Formula: | C28 H27 N3 O4 | SMILES: | c1(N)c(ccc(c1)c2cc(C)nc(n2)OC(C(O)=O)C(OC)(c3ccccc3)c4ccccc4)C | InChi: | InChI=1S/C28H27N3O4/c1-18-14-15-20(17-23(18)29)24-16-19(2)30-27(31-24)35-25(26(32)33)28(34-3,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,25H,29H2,1-3H3,(H,32,33)/t25-/m1/s1 | Definition date: | 2019-06-12 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid |
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![HAY HAY](https://data.pdbj.org/pdbjplus/data/cc/svg/HAY.svg) | HAY | Name: | (2R)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | Formula: | C24 H26 N2 O6 S | SMILES: | c1(ccc(cc1)OCc2ccccc2)C=3C=CN(CCC(C(=O)NO)(C)S(C)(=O)=O)C(C=3)=O | InChi: | InChI=1S/C24H26N2O6S/c1-24(23(28)25-29,33(2,30)31)13-15-26-14-12-20(16-22(26)27)19-8-10-21(11-9-19)32-17-18-6-4-3-5-7-18/h3-12,14,16,29H,13,15,17H2,1-2H3,(H,25,28)/t24-/m1/s1 | Definition date: | 2018-06-21 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | (2R)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide |
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![KQE KQE](https://data.pdbj.org/pdbjplus/data/cc/svg/KQE.svg) | KQE | Name: | 6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine | Formula: | C18 H11 F3 N4 O | SMILES: | FC(F)(F)Oc1cccc(c1)c2cnc3ccc(nn23)c4ccncc4 | InChi: | InChI=1S/C18H11F3N4O/c19-18(20,21)26-14-3-1-2-13(10-14)16-11-23-17-5-4-15(24-25(16)17)12-6-8-22-9-7-12/h1-11H | Definition date: | 2019-06-18 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | 6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine |
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![KQK KQK](https://data.pdbj.org/pdbjplus/data/cc/svg/KQK.svg) | KQK | Name: | ~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine | Formula: | C12 H12 N6 | SMILES: | CN(C)c1nccc(n1)c2cnn3ncccc23 | InChi: | InChI=1S/C12H12N6/c1-17(2)12-13-7-5-10(16-12)9-8-15-18-11(9)4-3-6-14-18/h3-8H,1-2H3 | Definition date: | 2019-06-18 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | ~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine |
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![KQW KQW](https://data.pdbj.org/pdbjplus/data/cc/svg/KQW.svg) | KQW | Name: | ~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine | Formula: | C14 H14 N6 | SMILES: | CN(C1CC1)c2nccc(n2)c3cnn4ncccc34 | InChi: | InChI=1S/C14H14N6/c1-19(10-4-5-10)14-15-8-6-12(18-14)11-9-17-20-13(11)3-2-7-16-20/h2-3,6-10H,4-5H2,1H3 | Definition date: | 2019-06-18 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | ~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine |
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![KQZ KQZ](https://data.pdbj.org/pdbjplus/data/cc/svg/KQZ.svg) | KQZ | Name: | ~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine | Formula: | C13 H13 N5 | SMILES: | CN(C)c1nccc(n1)c2c[nH]c3ncccc23 | InChi: | InChI=1S/C13H13N5/c1-18(2)13-15-7-5-11(17-13)10-8-16-12-9(10)4-3-6-14-12/h3-8H,1-2H3,(H,14,16) | Definition date: | 2019-06-18 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | ~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine |
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![KR8 KR8](https://data.pdbj.org/pdbjplus/data/cc/svg/KR8.svg) | KR8 | Name: | ~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine | Formula: | C17 H14 N6 | SMILES: | CN(c1ccccc1)c2nccc(n2)c3cnn4ncccc34 | InChi: | InChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3 | Definition date: | 2019-06-18 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | ~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine |
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![KRK KRK](https://data.pdbj.org/pdbjplus/data/cc/svg/KRK.svg) | KRK | Name: | 3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine | Formula: | C14 H13 F N6 | SMILES: | F[CH]1CCN(C1)c2nccc(n2)c3cnn4ncccc34 | InChi: | InChI=1S/C14H13FN6/c15-10-4-7-20(9-10)14-16-6-3-12(19-14)11-8-18-21-13(11)2-1-5-17-21/h1-3,5-6,8,10H,4,7,9H2/t10-/m0/s1 | Definition date: | 2019-06-19 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | 3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine |
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![KRQ KRQ](https://data.pdbj.org/pdbjplus/data/cc/svg/KRQ.svg) | KRQ | Name: | ~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine | Formula: | C11 H10 N6 | SMILES: | CNc1nccc(n1)c2cnn3ncccc23 | InChi: | InChI=1S/C11H10N6/c1-12-11-13-6-4-9(16-11)8-7-15-17-10(8)3-2-5-14-17/h2-7H,1H3,(H,12,13,16) | Definition date: | 2019-06-19 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | ~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine |
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![LJP LJP](https://data.pdbj.org/pdbjplus/data/cc/svg/LJP.svg) | LJP | Name: | N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide | Formula: | C16 H20 N4 O3 S | SMILES: | CC1(OC(c3c(C1)c(c(NC(=O)c2ccnn2)s3)C(=O)N)(C)C)C | InChi: | InChI=1S/C16H20N4O3S/c1-15(2)7-8-10(12(17)21)14(24-11(8)16(3,4)23-15)19-13(22)9-5-6-18-20-9/h5-6H,7H2,1-4H3,(H2,17,21)(H,18,20)(H,19,22) | Definition date: | 2019-02-22 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | N-(3-carbamoyl-5,5,7,7-tetramethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-2-yl)-1H-pyrazole-3-carboxamide |
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![LJV LJV](https://data.pdbj.org/pdbjplus/data/cc/svg/LJV.svg) | LJV | Name: | 6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile | Formula: | C17 H13 Cl N4 O | SMILES: | Clc2ccc1NC(=O)C(=Cc1c2)CNc3nc(C)c(cc3)C#N | InChi: | InChI=1S/C17H13ClN4O/c1-10-11(8-19)2-5-16(21-10)20-9-13-6-12-7-14(18)3-4-15(12)22-17(13)23/h2-7H,9H2,1H3,(H,20,21)(H,22,23) | Definition date: | 2019-02-27 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | 6-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methylpyridine-3-carbonitrile |
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![LJY LJY](https://data.pdbj.org/pdbjplus/data/cc/svg/LJY.svg) | LJY | Name: | 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile | Formula: | C18 H14 Cl N3 O2 | SMILES: | COc3c(ccc(NCC=2C(Nc1ccc(Cl)cc1C=2)=O)c3)C#N | InChi: | InChI=1S/C18H14ClN3O2/c1-24-17-8-15(4-2-11(17)9-20)21-10-13-6-12-7-14(19)3-5-16(12)22-18(13)23/h2-8,21H,10H2,1H3,(H,22,23) | Definition date: | 2019-02-27 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile |
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![LM7 LM7](https://data.pdbj.org/pdbjplus/data/cc/svg/LM7.svg) | LM7 | Name: | 1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione | Formula: | C14 H9 N3 O5 | SMILES: | O=[N+]([O-])c1cc(ccc1O)N3c2ccccc2C(NC3=O)=O | InChi: | InChI=1S/C14H9N3O5/c18-12-6-5-8(7-11(12)17(21)22)16-10-4-2-1-3-9(10)13(19)15-14(16)20/h1-7,18H,(H,15,19,20) | Definition date: | 2019-03-04 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | 1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione |
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![M1J M1J](https://data.pdbj.org/pdbjplus/data/cc/svg/M1J.svg) | M1J | Name: | 4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine | Formula: | C18 H23 F2 N7 O2 | SMILES: | c1(c(cc(N)nc1)C(F)F)c3nc(nc(N2CCOCC2C)n3)N4CCOCC4 | InChi: | InChI=1S/C18H23F2N7O2/c1-11-10-29-7-4-27(11)18-24-16(13-9-22-14(21)8-12(13)15(19)20)23-17(25-18)26-2-5-28-6-3-26/h8-9,11,15H,2-7,10H2,1H3,(H2,21,22)/t11-/m0/s1 | Definition date: | 2019-03-18 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | 4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine |
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![HOW HOW](https://data.pdbj.org/pdbjplus/data/cc/svg/HOW.svg) | HOW | Name: | 1,2-oxazol-3-amine | Formula: | C3 H4 N2 O | SMILES: | Nc1ccon1 | InChi: | InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5) | Definition date: | 2018-12-14 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | 1,2-oxazol-3-amine |
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![HRZ HRZ](https://data.pdbj.org/pdbjplus/data/cc/svg/HRZ.svg) | HRZ | Name: | 1~{H}-pyridin-2-one | Formula: | C5 H5 N O | SMILES: | O=C1NC=CC=C1 | InChi: | InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7) | Definition date: | 2018-12-18 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | 1~{H}-pyridin-2-one |
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![HT8 HT8](https://data.pdbj.org/pdbjplus/data/cc/svg/HT8.svg) | HT8 | Name: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one | Formula: | C18 H18 N2 O6 | SMILES: | OC[CH]1O[C]2(N=C(NC2=O)c3ccc4ccccc4c3)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C18H18N2O6/c21-8-12-13(22)14(23)15(24)18(26-12)17(25)19-16(20-18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,21-24H,8H2,(H,19,20,25)/t12-,13-,14+,15-,18+/m1/s1 | Definition date: | 2018-12-18 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one |
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![HTE HTE](https://data.pdbj.org/pdbjplus/data/cc/svg/HTE.svg) | HTE | Name: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one | Formula: | C14 H16 N2 O6 | SMILES: | OC[CH]1O[C]2(N=C(NC2=O)c3ccccc3)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C14H16N2O6/c17-6-8-9(18)10(19)11(20)14(22-8)13(21)15-12(16-14)7-4-2-1-3-5-7/h1-5,8-11,17-20H,6H2,(H,15,16,21)/t8-,9-,10+,11-,14+/m1/s1 | Definition date: | 2018-12-19 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one |
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![HTW HTW](https://data.pdbj.org/pdbjplus/data/cc/svg/HTW.svg) | HTW | Name: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one | Formula: | C18 H18 N2 O6 | SMILES: | OC[CH]1O[C]2(N=C(NC2=O)c3cccc4ccccc34)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C18H18N2O6/c21-8-12-13(22)14(23)15(24)18(26-12)17(25)19-16(20-18)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-15,21-24H,8H2,(H,19,20,25)/t12-,13-,14+,15-,18+/m1/s1 | Definition date: | 2018-12-19 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one |
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![HUM HUM](https://data.pdbj.org/pdbjplus/data/cc/svg/HUM.svg) | HUM | Name: | (2S)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | Formula: | C24 H25 F N2 O6 S | SMILES: | C3(C=C(c1ccc(cc1F)OCc2ccccc2)C=CN3CCC(C)(S(C)(=O)=O)C(NO)=O)=O | InChi: | InChI=1S/C24H25FN2O6S/c1-24(23(29)26-30,34(2,31)32)11-13-27-12-10-18(14-22(27)28)20-9-8-19(15-21(20)25)33-16-17-6-4-3-5-7-17/h3-10,12,14-15,30H,11,13,16H2,1-2H3,(H,26,29)/t24-/m0/s1 | Definition date: | 2018-07-20 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | (2S)-4-{4-[4-(benzyloxy)-2-fluorophenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide |
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![HVB HVB](https://data.pdbj.org/pdbjplus/data/cc/svg/HVB.svg) | HVB | Name: | 1-azanylpropylideneazanium | Formula: | C3 H9 N2 | SMILES: | CCC(N)=[NH2+] | InChi: | InChI=1S/C3H8N2/c1-2-3(4)5/h2H2,1H3,(H3,4,5)/p+1 | Definition date: | 2018-12-19 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | 1-azanylpropylideneazanium |
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![HVK HVK](https://data.pdbj.org/pdbjplus/data/cc/svg/HVK.svg) | HVK | Name: | pyridin-2-amine | Formula: | C5 H6 N2 | SMILES: | Nc1ccccn1 | InChi: | InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7) | Definition date: | 2018-12-20 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | pyridin-2-amine |
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![J1M J1M](https://data.pdbj.org/pdbjplus/data/cc/svg/J1M.svg) | J1M | Name: | (2S)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide | Formula: | C24 H26 N2 O6 S | SMILES: | c1(ccc(cc1)OCc2ccccc2)C=3C=CN(CCC(C(NO)=O)(C)S(C)(=O)=O)C(C=3)=O | InChi: | InChI=1S/C24H26N2O6S/c1-24(23(28)25-29,33(2,30)31)13-15-26-14-12-20(16-22(26)27)19-8-10-21(11-9-19)32-17-18-6-4-3-5-7-18/h3-12,14,16,29H,13,15,17H2,1-2H3,(H,25,28)/t24-/m0/s1 | Definition date: | 2018-08-03 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | (2S)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide |
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![C06 C06](https://data.pdbj.org/pdbjplus/data/cc/svg/C06.svg) | C06 | Name: | [[(2S,3R,4S,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate | Formula: | C16 H25 N5 O15 P2 | SMILES: | C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11+,14-,15+/m1/s1 | Definition date: | 2019-04-02 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | [[(2~{S},3~{R},4~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R},6~{R})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate |
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![CV2 CV2](https://data.pdbj.org/pdbjplus/data/cc/svg/CV2.svg) | CV2 | Name: | (S)-(1-amino-2phenylallyl)phosphonic acid | Formula: | C9 H12 N O3 P | SMILES: | N[CH](C(=C)c1ccccc1)[P](O)(O)=O | InChi: | InChI=1S/C9H12NO3P/c1-7(9(10)14(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1,10H2,(H2,11,12,13)/t9-/m0/s1 | Definition date: | 2017-12-06 | Last modified: | 2019-06-21 | Release date: | 2019-06-26 | Identifier: | [(1~{S})-1-azanyl-2-phenyl-prop-2-enyl]phosphonic acid |
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