AC-90179   

GtoPdb Ligand ID: 174

Synonyms: AC 90179 | AC90179
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 32.78
Molecular weight 366.23
XLogP 3.84
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1ccc(cc1)CC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)C
Isomeric SMILES COc1ccc(cc1)CC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)C
InChI InChI=1S/C23H30N2O2/c1-18-4-6-20(7-5-18)17-25(21-12-14-24(2)15-13-21)23(26)16-19-8-10-22(27-3)11-9-19/h4-11,21H,12-17H2,1-3H3
InChI Key AHGNJBSTWQOSAB-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide
Synonyms
AC 90179 | AC90179
Database Links
CAS Registry No. 359878-17-4 (source: Scifinder)
GtoPdb PubChem SID 135649884
PubChem CID 9799308
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