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| Ligand Name: 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1194 |
PubChem:
46865101
|
Synonym(s):
- chembl1084114
- bdbm50313524
- q27464181
- 3,5-dioxo-4-(3-(piperidin-1-yl)propyl)-2-(3-(trifluoromethyl)phenyl)-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
show 3 synonym(s)
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| DrugBank: - |
ChEMBL: CHEMBL1084114 |
| Canonical SMILES: FC(F)(F)c1cccc(c1)-n1nc(C#N)c(=O)n(CCCN2CCCCC2)c1=O |
| Standard InChI: InChI=1S/C19H20F3N5O2/c20-19(21,22)14-6-4-7-15(12-14)27-18(29)26(17(28)16(13-23)24-27)11-5-10-25-8-2-1-3-9-25/h4,6-7,12H,1-3,5,8-11H2 |
| Molecular Formula: C19H20F3N5O2 |
Mol. Weight: 407.15692 |
logP: 2.16068 |
| HBD: 0 | HBA: 7 |
| #Rotatable Bonds: 5 | TPSA: 83.92 |