UNC0638

Ligand id: 7015

Name: UNC0638

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 62.75
Molecular weight 509.37
XLogP 5.41
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
Database Links
CAS Registry No. 1255580-76-7 (source: Scifinder)
ChEMBL Ligand CHEMBL1231795
PubChem CID 46224516
RCSB PDB Ligand CIQ
Search Google for chemical match using the InChIKey QOECJCJVIMVJGX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QOECJCJVIMVJGX
Search UniChem for chemical match using the InChIKey QOECJCJVIMVJGX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QOECJCJVIMVJGX
SynPHARM 79332 (in complex with euchromatic histone lysine methyltransferase 2)
79333 (in complex with euchromatic histone lysine methyltransferase 2)
Comments
This is a compound from the Structural Genomics Consortium's (SGC) Epigenetics Probes Collection.