birinapant

Ligand id: 7432

Name: birinapant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 8
Rotatable bonds 19
Topological polar surface area 194.92
Molecular weight 806.43
XLogP 2.47
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-N-[(2S)-1-[(2R,4S)-2-[[6-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-hydroxy-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
International Nonproprietary Names
INN number INN
9587 birinapant
Synonyms
TL 32711 | TL-32711 | TL32711
Database Links
CAS Registry No. 1260251-31-7
ChEMBL Ligand CHEMBL3039522
GtoPdb PubChem SID 178104004
PubChem CID 49836020
RCSB PDB Ligand GT6
Search Google for chemical match using the InChIKey PKWRMUKBEYJEIX-DXXQBUJASA-N
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Search UniChem for chemical match using the InChIKey PKWRMUKBEYJEIX-DXXQBUJASA-N
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Comments
Birinapant is an experimental anti-cancer compound.