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| Ligand Name: 1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}prop-2-en-1-one |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1182 |
PubChem:
- |
Synonym(s):
- chembl4460786
- schembl20296718
- bdbm50514373
show 2 synonym(s)
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: Oc1cccc(F)c1-c(c(Cl)c2)cc(c23)c(-c4ccccc4)nnc3N5CCN(CC5)C(=O)C=C |
| Standard InChI: InChI=1S/C27H22ClFN4O2/c1-2-24(35)32-11-13-33(14-12-32)27-19-16-21(28)20(25-22(29)9-6-10-23(25)34)15-18(19)26(30-31-27)17-7-4-3-5-8-17/h2-10,15-16,34H,1,11-14H2 |
| Molecular Formula: C27H22ClFN4O2 |
Mol. Weight: 488.14154 |
logP: 5.2965 |
| HBD: 1 | HBA: 5 |
| #Rotatable Bonds: 4 | TPSA: 69.56 |