Abbott 14c

Ligand id: 5871

Name: Abbott 14c

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 128.18
Molecular weight 420.23
XLogP 4.35
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
1-tert-butyl-3-[4-[2,4-diamino-6-(phenylmethoxymethyl)pyrimidin-5-yl]phenyl]urea
Synonyms
2,4-diaminopyrimidine-based antagonist, 14c
Database Links
ChEMBL Ligand CHEMBL212761
GtoPdb PubChem SID 178102495
PubChem CID 11441554
Search Google for chemical match using the InChIKey MLBYOWASRACYDH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MLBYOWASRACYDH
Search UniChem for chemical match using the InChIKey MLBYOWASRACYDH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MLBYOWASRACYDH