Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5R4VP
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| Ligand Name |
3-{5-[(2e,4ar,7ar)-6-Benzoyl-2-Imino-3-Methyl-4-Oxooctahydro-7ah-Pyrrolo[3,4-D]pyrimidin-7a-Yl]thiophen-3-Yl}benzonitrile
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| Synonyms |
CHEMBL2178145; 3-{5-[(2e,4ar,7ar)-6-Benzoyl-2-Imino-3-Methyl-4-Oxooctahydro-7ah-Pyrrolo[3,4-D]pyrimidin-7a-Yl]thiophen-3-Yl}benzonitrile; BDBM50398685; Q27451586; 10J
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| Structure |
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Download2D MOL |
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| Formula |
C25H21N5O2S
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| Canonical SMILES |
CN1C(=O)C2CN(CC2(N=C1N)C3=CC(=CS3)C4=CC=CC(=C4)C#N)C(=O)C5=CC=CC=C5
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| InChI |
1S/C25H21N5O2S/c1-29-23(32)20-13-30(22(31)17-7-3-2-4-8-17)15-25(20,28-24(29)27)21-11-19(14-33-21)18-9-5-6-16(10-18)12-26/h2-11,14,20H,13,15H2,1H3,(H2,27,28)/t20-,25-/m0/s1
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| InChIKey |
POOXGNGZUXTIQE-CPJSRVTESA-N
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| PubChem Compound ID | ||||
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