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Ligand Download |
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| Ligand Name: 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-2-ONE | ||
| HET ID: RRR | PubChem: 447360 | |
| DrugBank: DB08488 | ChEMBL: CHEMBL1235734 | |
| Canonical SMILES: O=C1CN(CCN1Cc1cc2c([nH]1)ccnc2)S(=O)(=O)/C=C/c1ccc(s1)Cl | ||
| Standard InChI: InChI=1S/C18H17ClN4O3S2/c19-17-2-1-15(27-17)4-8-28(25,26)23-7-6-22(18(24)12-23)11-14-9-13-10-20-5-3-16(13)21-14/h1-5,8-10,21H,6-7,11-12H2/b8-4+ | ||
| Molecular Formula: C18H17ClN4O3S2 | Mol. Weight: 436.93558 | Heavy Atoms: 28 |
| Charge: 0 | Is Chiral: False | logP: 3.8793 |
| HBD: 1 | HBA: 7 | TPSA: 122.99 |
| #Bonds: 32 | #Rotatable Bonds: 5 | Shape Complexity: 0.22222222 |
| Stereocomplexity: 0.0 | ||