CX516   

GtoPdb Ligand ID: 4165

Synonyms: BDP-12 | CX 516 | CX-516
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 46.09
Molecular weight 241.12
XLogP 1.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(c1ccc2c(c1)nccn2)N1CCCCC1
Isomeric SMILES O=C(c1ccc2c(c1)nccn2)N1CCCCC1
InChI InChI=1S/C14H15N3O/c18-14(17-8-2-1-3-9-17)11-4-5-12-13(10-11)16-7-6-15-12/h4-7,10H,1-3,8-9H2
InChI Key ANDGGVOPIJEHOF-UHFFFAOYSA-N
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Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel