(+)-WAY 100135   

GtoPdb Ligand ID: 126

Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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
Canonical SMILES COc1ccccc1N1CCN(CC1)CC(C(=O)NC(C)(C)C)c1ccccc1
Isomeric SMILES COc1ccccc1N1CCN(CC1)C[C@@H](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)/t20-/m1/s1
InChI Key UMTDAKAAYOXIKU-HXUWFJFHSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2S)-N-tert-butyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
Database Links
BindingDB Ligand 50047471
ChEMBL Ligand CHEMBL38288
GtoPdb PubChem SID 135651319
PubChem CID 6604840
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