AC-42

Ligand id: 289

Name: AC-42

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 20.31
Molecular weight 301.24
XLogP 6.37
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(4-butylpiperidin-1-yl)-1-(2-methylphenyl)butan-1-one
Synonyms
AC 42 | AC42
Database Links
BindingDB Ligand 50326219
CAS Registry No. 244291-63-2 (source: Scifinder)
ChEMBL Ligand CHEMBL1242950
GtoPdb PubChem SID 135649882
PubChem CID 9948320
Search Google for chemical match using the InChIKey ANTKBACNWQHQJE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ANTKBACNWQHQJE
Search UniChem for chemical match using the InChIKey ANTKBACNWQHQJE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ANTKBACNWQHQJE