CX546   Click here for help

GtoPdb Ligand ID: 4166

Synonyms: CX 546 | CX-546
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 38.77
Molecular weight 247.12
XLogP 1.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O=C(c1ccc2c(c1)OCCO2)N1CCCCC1
Isomeric SMILES O=C(c1ccc2c(c1)OCCO2)N1CCCCC1
InChI InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2
InChI Key LJUNPHMOGNFFOS-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel