ML323

Ligand id: 7898

Name: ML323

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 68.52
Molecular weight 384.21
XLogP 6.4
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-methyl-2-(2-propan-2-ylphenyl)-N-[[4-(triazol-1-yl)phenyl]methyl]pyrimidin-4-amine
Synonyms
ML 323 | ML-323
Database Links
CAS Registry No. 1572414-83-5 (source: Scifinder)
ChEMBL Ligand CHEMBL3182437
PubChem CID 60167849
Search Google for chemical match using the InChIKey VUIRVWPJNKZOSS-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VUIRVWPJNKZOSS
Search UniChem for chemical match using the InChIKey VUIRVWPJNKZOSS-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VUIRVWPJNKZOSS
Comments
USP1/UAF1 deubiquitinase inhibitor with anticancer activity