CV-6209   Click here for help

GtoPdb Ligand ID: 1852

Synonyms: CV 6209 | CV6209
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 30
Topological polar surface area 98.05
Molecular weight 606.45
XLogP 11.75
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC
Isomeric SMILES CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(C(=O)C)Cc1cccc[n+]1CC)OC
InChI InChI=1S/C34H59N3O6/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25-35-33(39)42-28-32(41-4)29-43-34(40)37(30(3)38)27-31-24-21-23-26-36(31)6-2/h21,23-24,26,32H,5-20,22,25,27-29H2,1-4H3/p+1
InChI Key LSUANMYXNFBGDT-UHFFFAOYSA-O
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[3-[acetyl-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamoyl]oxy-2-methoxypropyl] N-octadecylcarbamate
Synonyms Click here for help
CV 6209 | CV6209
Database Links Click here for help
ChEMBL Ligand CHEMBL1180101
GtoPdb PubChem SID 135650142
PubChem CID 107757
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