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| Ligand Name: 1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}prop-2-en-1-one |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB415 |
PubChem:
118010646
|
Synonym(s):
- schembl16637407
- 1-(4-(6-chloro-8-fluoro-7-(5-methyl-1h-indazol-4-yl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one
show 1 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: c1n[nH]c(c12)ccc(C)c2-c(c3F)c(Cl)cc(c34)c(ncn4)N5CCN(CC5)C(=O)C=C |
| Standard InChI: InChI=1S/C23H20ClFN6O/c1-3-18(32)30-6-8-31(9-7-30)23-14-10-16(24)20(21(25)22(14)26-12-27-23)19-13(2)4-5-17-15(19)11-28-29-17/h3-5,10-12H,1,6-9H2,2H3,(H,28,29) |
| Molecular Formula: C23H20ClFN6O |
Mol. Weight: 450.13712 |
logP: 4.10862 |
| HBD: 1 | HBA: 5 |
| #Rotatable Bonds: 3 | TPSA: 78.01 |