Y27632   

GtoPdb Ligand ID: 5290

Synonyms: ROCK Inhibitor, Y-27632 | Y-27632
Compound class: Synthetic organic
Comment: We represent the compound as drawn in the article by Wu et al (2010) [5]. Note that the PubChem entry for this compound is missing stereochemistry.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 68.01
Molecular weight 247.17
XLogP 0.86
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(C1CCC(CC1)C(=O)Nc1ccncc1)N
Isomeric SMILES C[C@H]([C@@H]1CC[C@H](CC1)C(=O)Nc1ccncc1)N
InChI InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11-,12-/m1/s1
InChI Key IYOZTVGMEWJPKR-IJLUTSLNSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel