CGS 15943   

GtoPdb Ligand ID: 384

Synonyms: CGS 15943A | CGS-15943 | CGS15943
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 82.24
Molecular weight 285.04
XLogP 2.53
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1
Isomeric SMILES Clc1ccc2c(c1)c1nc(nn1c(n2)N)c1ccco1
InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
InChI Key MSJODEOZODDVGW-UHFFFAOYSA-N
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Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel