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| Ligand Name: N-[1-(3-bromo-5,6-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB779 |
PubChem:
25134253
|
Synonym(s):
- n-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
- db07738
- q27096956
- n-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
- f1l
show 4 synonym(s)
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| DrugBank: DB07738 |
ChEMBL: CHEMBL1232614 |
| Canonical SMILES: COc1cc(Br)cc(c1OC)CN2CCC(CC2)NC(=O)CCCS |
| Standard InChI: InChI=1S/C18H27BrN2O3S/c1-23-16-11-14(19)10-13(18(16)24-2)12-21-7-5-15(6-8-21)20-17(22)4-3-9-25/h10-11,15,25H,3-9,12H2,1-2H3,(H,20,22) |
| Molecular Formula: C18H27BrN2O3S |
Mol. Weight: 430.0926 |
logP: 3.2569 |
| HBD: 2 | HBA: 5 |
| #Rotatable Bonds: 8 | TPSA: 50.8 |