NNC269100

Ligand id: 3513

Name: NNC269100

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 85.94
Molecular weight 538.07
XLogP 4.37
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[3-[(5-bromopyridin-2-yl)-[(3,4-dichlorophenyl)methyl]amino]propyl]-3-[3-(3H-imidazol-4-yl)propyl]urea
Synonyms
NNC 269100 | NNC-269100
Database Links
CAS Registry No. 199522-35-5 (source: Scifinder)
ChEMBL Ligand CHEMBL1474351
PubChem CID 5311371
Search Google for chemical match using the InChIKey QJDXAQZNKZDALD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QJDXAQZNKZDALD
Search UniChem for chemical match using the InChIKey QJDXAQZNKZDALD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QJDXAQZNKZDALD