Ligand |
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| Ligand Name: 1-{4-[6-chloro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}prop-2-en-1-one | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB1096 | PubChem: 118019010 | |
Synonym(s):
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| DrugBank: - | ChEMBL: CHEMBL4536127 | |
| Canonical SMILES: c1n[nH]c(c12)ccc(C)c2-c(c(Cl)c3)cc(c34)ncnc4N5CCN(CC5)C(=O)C=C | ||
| Standard InChI: InChI=1S/C23H21ClN6O/c1-3-21(31)29-6-8-30(9-7-29)23-16-10-18(24)15(11-20(16)25-13-26-23)22-14(2)4-5-19-17(22)12-27-28-19/h3-5,10-13H,1,6-9H2,2H3,(H,27,28) | ||
| Molecular Formula: C23H21ClN6O | Mol. Weight: 432.14655 | logP: 3.96952 |
| HBD: 1 | HBA: 5 | |
| #Rotatable Bonds: 3 | TPSA: 78.01 | |