BIBF-1202

Ligand id: 8096

Name: BIBF-1202

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 105.22
Molecular weight 525.24
XLogP 4.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3Z)-3-[[[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]amino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylic acid
Synonyms
BIBF 1202
Database Links
CAS Registry No. 894783-71-2
PubChem CID 11606145
Search Google for chemical match using the InChIKey KEHNCEDHZGQSNP-DQSJHHFOSA-N
Search Google for chemicals with the same backbone KEHNCEDHZGQSNP
Search UniChem for chemical match using the InChIKey KEHNCEDHZGQSNP-DQSJHHFOSA-N
Search UniChem for chemicals with the same backbone KEHNCEDHZGQSNP
Comments
BIBF-1202 is the major metabolite of nintedanib, produced by methyl ester cleavage [2].