NF449

Ligand id: 4267

Name: NF449

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 35
Hydrogen bond donors 6
Rotatable bonds 32
Topological polar surface area 571.53
Molecular weight 1503.75
XLogP 0.35
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1,3-disodium 4-{[3-({[3,5-bis({2,4-bis[(sodiooxy)sulfonyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)-5-({2,4-bis[(sodiooxy)sulfonyl]phenyl}carbamoyl)benzene]amido}benzene-1,3-disulfonate
Database Links
ChEMBL Ligand CHEMBL1253351
PubChem CID 4469
Search Google for chemical match using the InChIKey KCBZSNWCUJBMHF-UHFFFAOYSA-F
Search Google for chemicals with the same backbone KCBZSNWCUJBMHF
Search UniChem for chemical match using the InChIKey KCBZSNWCUJBMHF-UHFFFAOYSA-F
Search UniChem for chemicals with the same backbone KCBZSNWCUJBMHF