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| Ligand Name: 4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1042 |
PubChem:
11516307
|
Synonym(s):
- chembl1084400
- schembl4443972
- bdbm50313476
- q27462153
- 4-(3-(piperidin-1-yl)propyl)-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile
- 4-(3-piperidin-1-yl-propyl)-6-(3-trifluoromethylphenyl)-pyrimidine-2-carbonitrile
show 5 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL1084400 |
| Canonical SMILES: FC(F)(F)c1cccc(c1)-c1cc(CCCN2CCCCC2)nc(n1)C#N |
| Standard InChI: InChI=1S/C20H21F3N4/c21-20(22,23)16-7-4-6-15(12-16)18-13-17(25-19(14-24)26-18)8-5-11-27-9-2-1-3-10-27/h4,6-7,12-13H,1-3,5,8-11H2 |
| Molecular Formula: C20H21F3N4 |
Mol. Weight: 374.17184 |
logP: 4.45258 |
| HBD: 0 | HBA: 4 |
| #Rotatable Bonds: 5 | TPSA: 52.81 |