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| Ligand Name: methyl (2E)-4-[(2-oxo-1,2,5,6,7,8-hexahydroquinolin-3-yl)formamido]but-2-enoate |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1049 |
PubChem:
129179200
|
Synonym(s):
- hoip inhibitor 11a
- gsk11a
- hoipin 11a
- schembl18910498
- (e)-methyl 4-(2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamido)but-2-enoate
- 1610800-91-3
show 5 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: COC(=O)/C=C/CNC(=O)c(c(=O)[nH]1)cc(c12)CCCC2 |
| Standard InChI: InChI=1S/C15H18N2O4/c1-21-13(18)7-4-8-16-14(19)11-9-10-5-2-3-6-12(10)17-15(11)20/h4,7,9H,2-3,5-6,8H2,1H3,(H,16,19)(H,17,20)/b7-4+ |
| Molecular Formula: C15H18N2O4 |
Mol. Weight: 290.12665 |
logP: 0.7127 |
| HBD: 2 | HBA: 4 |
| #Rotatable Bonds: 4 | TPSA: 88.26 |