BIBO3304

Ligand id: 1528

Name: BIBO3304

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 6
Rotatable bonds 16
Topological polar surface area 177.72
Molecular weight 529.28
XLogP 5.59
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2R)-N-[[4-[(carbamoylamino)methyl]phenyl]methyl]-5-(diaminomethylideneamino)-2-[[2,2-di(phenyl)acetyl]amino]pentanamide
Database Links
BindingDB Ligand 50343731
CAS Registry No. 191868-13-0 (source: Scifinder)
ChEMBL Ligand CHEMBL1774204
PubChem CID 5311022
Search Google for chemical match using the InChIKey TVMJSGGZULFVCZ-XMMPIXPASA-N
Search Google for chemicals with the same backbone TVMJSGGZULFVCZ
Search UniChem for chemical match using the InChIKey TVMJSGGZULFVCZ-XMMPIXPASA-N
Search UniChem for chemicals with the same backbone TVMJSGGZULFVCZ