WAY-100135   Click here for help

GtoPdb Ligand ID: 79

Synonyms: WAY 100135 | WAY-100,135
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 44.81
Molecular weight 395.26
XLogP 4.03
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccccc1N1CCN(CC1)CC(C(=O)NC(C)(C)C)c1ccccc1
Isomeric SMILES COc1ccccc1N1CCN(CC1)CC(C(=O)NC(C)(C)C)c1ccccc1
InChI InChI=1S/C24H33N3O2/c1-24(2,3)25-23(28)20(19-10-6-5-7-11-19)18-26-14-16-27(17-15-26)21-12-8-9-13-22(21)29-4/h5-13,20H,14-18H2,1-4H3,(H,25,28)
InChI Key UMTDAKAAYOXIKU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
Synonyms Click here for help
WAY 100135 | WAY-100,135
Database Links Click here for help
BindingDB Ligand 50047472
CAS Registry No. 133025-23-7 (source: Scifinder)
ChEMBL Ligand CHEMBL22564
GtoPdb PubChem SID 135651320
PubChem CID 115111
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Wikipedia WAY-100,135