Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LD0X9J
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| Ligand Name |
5-[(2e,4ar,7ar)-6-(4-Ethoxy-5-Fluoro-6-Methylpyrimidin-2-Yl)-2-Imino-3-Methyl-4-Oxooctahydro-7ah-Pyrrolo[3,4-D]pyrimidin-7a-Yl]thiophene-2-Carbonitrile
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| Synonyms |
CHEMBL3799339; 5-[(2e,4ar,7ar)-6-(4-Ethoxy-5-Fluoro-6-Methylpyrimidin-2-Yl)-2-Imino-3-Methyl-4-Oxooctahydro-7ah-Pyrrolo[3,4-D]pyrimidin-7a-Yl]thiophene-2-Carbonitrile; SCHEMBL12599967; BDBM50164506; Q27456147; 60U
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| Structure |
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Download2D MOL |
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| Formula |
C19H20FN7O2S
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| Canonical SMILES |
CCOC1=NC(=NC(=C1F)C)N2CC3C(=O)N(C(=NC3(C2)C4=CC=C(S4)C#N)N)C
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| InChI |
1S/C19H20FN7O2S/c1-4-29-15-14(20)10(2)23-18(24-15)27-8-12-16(28)26(3)17(22)25-19(12,9-27)13-6-5-11(7-21)30-13/h5-6,12H,4,8-9H2,1-3H3,(H2,22,25)/t12-,19-/m0/s1
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| InChIKey |
NAIWJSDALLQSJO-BUXKBTBVSA-N
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| PubChem Compound ID | ||||
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