Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LB16YM
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| Ligand Name |
5-{(2e,4ar,7ar)-6-[5-Fluoro-4-Methyl-6-(Methylamino)pyrimidin-2-Yl]-2-Imino-3-Methyl-4-Oxooctahydro-7ah-Pyrrolo[3,4-D]pyrimidin-7a-Yl}thiophene-2-Carbonitrile
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| Synonyms |
CHEMBL3799879; 5-{(2e,4ar,7ar)-6-[5-Fluoro-4-Methyl-6-(Methylamino)pyrimidin-2-Yl]-2-Imino-3-Methyl-4-Oxooctahydro-7ah-Pyrrolo[3,4-D]pyrimidin-7a-Yl}thiophene-2-Carbonitrile; BDBM50164504; Q27456144
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| Structure |
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Download2D MOL |
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| Formula |
C18H19FN8OS
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| Canonical SMILES |
CC1=C(C(=NC(=N1)N2CC3C(=O)N(C(=NC3(C2)C4=CC=C(S4)C#N)N)C)NC)F
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| InChI |
1S/C18H19FN8OS/c1-9-13(19)14(22-2)24-17(23-9)27-7-11-15(28)26(3)16(21)25-18(11,8-27)12-5-4-10(6-20)29-12/h4-5,11H,7-8H2,1-3H3,(H2,21,25)(H,22,23,24)/t11-,18-/m0/s1
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| InChIKey |
ZGUINBOSNMEMBB-VOJFVSQTSA-N
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| PubChem Compound ID | ||||
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