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| Ligand Name: 6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB422 |
PubChem:
46238539
|
Synonym(s):
- chembl1209147
- bdbm50322923
- q27456958
- 6-(4-(3-(4-methylpiperazin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)picolinonitrile
- 93n
show 4 synonym(s)
|
| DrugBank: - |
ChEMBL: CHEMBL1209147 |
| Canonical SMILES: CN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cccc(n2)C#N)CC1 |
| Standard InChI: InChI=1S/C21H23F3N4O/c1-27-9-11-28(12-10-27)8-3-13-29-20-7-6-16(14-18(20)21(22,23)24)19-5-2-4-17(15-25)26-19/h2,4-7,14H,3,8-13H2,1H3 |
| Molecular Formula: C21H23F3N4O |
Mol. Weight: 404.1824 |
logP: 3.65538 |
| HBD: 0 | HBA: 5 |
| #Rotatable Bonds: 6 | TPSA: 52.39 |