RO1138452   Click here for help

GtoPdb Ligand ID: 1969

Synonyms: CAY10441 | Ro-1138452
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 6
Topological polar surface area 45.65
Molecular weight 309.18
XLogP 4.2
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(Oc1ccc(cc1)Cc1ccc(cc1)NC1=NCCN1)C
Isomeric SMILES CC(Oc1ccc(cc1)Cc1ccc(cc1)NC1=NCCN1)C
InChI InChI=1S/C19H23N3O/c1-14(2)23-18-9-5-16(6-10-18)13-15-3-7-17(8-4-15)22-19-20-11-12-21-19/h3-10,14H,11-13H2,1-2H3,(H2,20,21,22)
InChI Key GYYRMJMXXLJZAB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[4-[(4-propan-2-yloxyphenyl)methyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
Synonyms Click here for help
CAY10441 | Ro-1138452
Database Links Click here for help
ChEBI CHEBI:106143
ChEMBL Ligand CHEMBL9540
GtoPdb PubChem SID 135650911
PubChem CID 9839644
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