S24773   

GtoPdb Ligand ID: 1354

Synonyms: S 24773 | S-24773
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 64.35
Molecular weight 334.17
XLogP 3.88
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)c1cccc(c1)N
Isomeric SMILES COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)c1cccc(c1)N
InChI InChI=1S/C21H22N2O2/c1-14(24)23-9-8-17-11-18(15-4-3-5-19(22)12-15)10-16-6-7-20(25-2)13-21(16)17/h3-7,10-13H,8-9,22H2,1-2H3,(H,23,24)
InChI Key RUYDBTKHRKQOLY-UHFFFAOYSA-N