SAR407899   

GtoPdb Ligand ID: 8910

Synonyms: HY-15687A | SAR-407899
Compound class: Synthetic organic
Comment: SAR407899 is a potent ATP-competitive, Rho kinase inhibitor [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 54.12
Molecular weight 244.12
XLogP 2.15
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=c1[nH]ccc2c1ccc(c2)OC1CCNCC1
Isomeric SMILES O=c1[nH]ccc2c1ccc(c2)OC1CCNCC1
InChI InChI=1S/C14H16N2O2/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11/h1-3,8-9,11,15H,4-7H2,(H,16,17)
InChI Key IPEXHQGMTHOKQV-UHFFFAOYSA-N
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InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel