RPR121154   Click here for help

GtoPdb Ligand ID: 580

Synonyms: RPR-121154
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 59.64
Molecular weight 345.18
XLogP 5.07
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CN=C(Nc1ccc(c(c1)c1ccccc1)OCCc1ccccc1)N
Isomeric SMILES CN=C(Nc1ccc(c(c1)c1ccccc1)OCCc1ccccc1)N
InChI InChI=1S/C22H23N3O/c1-24-22(23)25-19-12-13-21(20(16-19)18-10-6-3-7-11-18)26-15-14-17-8-4-2-5-9-17/h2-13,16H,14-15H2,1H3,(H3,23,24,25)
InChI Key QXDMVRPQHNFBSZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-methyl-1-[3-phenyl-4-(2-phenylethoxy)phenyl]guanidine
Synonyms Click here for help
RPR-121154
Database Links Click here for help
ChEMBL Ligand CHEMBL368161
GtoPdb PubChem SID 178100220
PubChem CID 10020451
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