Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5XDQ3
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| Ligand Name |
3-{5-[(2e,4ar,7ar)-2-Imino-6-(3-Methoxypyridin-2-Yl)-3-Methyl-4-Oxooctahydro-7ah-Pyrrolo[3,4-D]pyrimidin-7a-Yl]thiophen-3-Yl}benzonitrile
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| Synonyms |
CHEMBL2178712; 3-{5-[(2e,4ar,7ar)-2-Imino-6-(3-Methoxypyridin-2-Yl)-3-Methyl-4-Oxooctahydro-7ah-Pyrrolo[3,4-D]pyrimidin-7a-Yl]thiophen-3-Yl}benzonitrile; BDBM50398690; Q27451597; 10V
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| Structure |
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Download2D MOL |
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| Formula |
C24H22N6O2S
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| Canonical SMILES |
CN1C(=O)C2CN(CC2(N=C1N)C3=CC(=CS3)C4=CC=CC(=C4)C#N)C5=C(C=CC=N5)OC
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| InChI |
1S/C24H22N6O2S/c1-29-22(31)18-12-30(21-19(32-2)7-4-8-27-21)14-24(18,28-23(29)26)20-10-17(13-33-20)16-6-3-5-15(9-16)11-25/h3-10,13,18H,12,14H2,1-2H3,(H2,26,28)/t18-,24-/m0/s1
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| InChIKey |
OVZBZLASXPSCEA-UUOWRZLLSA-N
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| PubChem Compound ID | ||||
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