 |
| Ligand Name: Julolidine retinal analogue |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB991 |
PubChem:
137349599
|
Synonym(s):
- (2e,4e)-3-methyl-5-(2,3,6,7-tetrahydro-1h,5h-pyrido[3,2,1-ij]quinolin-9-yl)penta-2,4-dienal
|
| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: O=C/C=C(\C)/C=C/c(c1)cc(c2c13)CCCN2CCC3 |
| Standard InChI: InChI=1S/C18H21NO/c1-14(8-11-20)6-7-15-12-16-4-2-9-19-10-3-5-17(13-15)18(16)19/h6-8,11-13H,2-5,9-10H2,1H3/b7-6+,14-8+ |
| Molecular Formula: C18H21NO |
Mol. Weight: 267.16232 |
logP: 3.5438 |
| HBD: 0 | HBA: 2 |
| #Rotatable Bonds: 3 | TPSA: 20.31 |