LY334362   Click here for help

GtoPdb Ligand ID: 231

Synonyms: LY 334362 | LY-334362
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 103.06
Molecular weight 372.16
XLogP 5.14
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES NC(=NN=Cc1cccc(c1)OCc1ccc(cc1)C(=O)c1ccccc1)N
Isomeric SMILES NC(=N/N=C/c1cccc(c1)OCc1ccc(cc1)C(=O)c1ccccc1)N
InChI InChI=1S/C22H20N4O2/c23-22(24)26-25-14-17-5-4-8-20(13-17)28-15-16-9-11-19(12-10-16)21(27)18-6-2-1-3-7-18/h1-14H,15H2,(H4,23,24,26)/b25-14+
InChI Key ROCDIHAUKUGXMY-AFUMVMLFSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[(E)-({3-[(4-benzoylphenyl)methoxy]phenyl}methylidene)amino]guanidine
Synonyms Click here for help
LY 334362 | LY-334362
Database Links Click here for help
CAS Registry No. 182633-62-1 (source: Scifinder)
GtoPdb PubChem SID 135650550
PubChem CID 23786508
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UniChem Compound Search for chemical match using the InChIKey ROCDIHAUKUGXMY-AFUMVMLFSA-N
UniChem Connectivity Search for chemical match using the InChIKey ROCDIHAUKUGXMY-AFUMVMLFSA-N