Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L7WA9S
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| Ligand Name |
(2e,4ar,7as)-7a-(2,4-Difluorophenyl)-6-(5-Fluoro-4-Methoxy-6-Methylpyrimidin-2-Yl)-2-Imino-3-Methyloctahydro-4h-Pyrrolo[3,4-D]pyrimidin-4-One
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| Synonyms |
(2e,4ar,7as)-7a-(2,4-Difluorophenyl)-6-(5-Fluoro-4-Methoxy-6-Methylpyrimidin-2-Yl)-2-Imino-3-Methyloctahydro-4h-Pyrrolo[3,4-D]pyrimidin-4-One; Mbi-4; BDBM9488; GTPL9197; CHEMBL3640290; SCHEMBL12599638; compound 9 [PMID: 26937601]; J3.604.699F; US8541427, 1; Q27456151; (4aR,7aS)-2-amino-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-5,7-dihydro-4aH-pyrrolo[3,4-d]pyrimidin-4-one; 1,2,3,4,4abeta,5,7,7abeta-Octahydro-2-imino-3-methyl-4-oxo-6-(4-methyl-6-methoxy-5-fluoropyrimidine-2-yl)-7a-(2,4-difluorophenyl)-6H-pyrrolo[3,4-d]pyrimidine; 60X
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| Structure |
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Download2D MOL |
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| Formula |
C19H19F3N6O2
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| Canonical SMILES |
CC1=C(C(=NC(=N1)N2CC3C(=O)N(C(=NC3(C2)C4=C(C=C(C=C4)F)F)N)C)OC)F
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| InChI |
1S/C19H19F3N6O2/c1-9-14(22)15(30-3)25-18(24-9)28-7-12-16(29)27(2)17(23)26-19(12,8-28)11-5-4-10(20)6-13(11)21/h4-6,12H,7-8H2,1-3H3,(H2,23,26)/t12-,19+/m0/s1
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| InChIKey |
FNMJFZYRSQTKIH-HXPMCKFVSA-N
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| PubChem Compound ID | ||||
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