Compound Synopsis
Compound Overview
Bioactivity Data Summary
Protein Affinity Profile
Cellline Sensitivity Profile

190437 - Overview - Compound Synopsis

Synonyms
ALLIBeacita
LIPSTATINLipstatin
ORLIPASTATORLISTAT
OrlipastatOrlistat
Ro 18-0647/002Ro-18-0647-002
Ro-180647-002Ro-180647002
TETRAHYDROLIPSTATINTetrahydrolipstatin
XENICALXenical
Molecular Formula
C29H53NO5
InChI
InChI=1S/C29H53NO5/c1-5-7-9-11-12-13-14-15-16-18-24(34-29(33)26(30-22-31)20-23(3)4)21-27-25(28(32)35-27)19-17-10-8-6-2/h22-27H,5-21H2,1-4H3,(H,30,31)/t24-,25-,26-,27-/m0/s1
Smiles
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
Cross References
UniChem426005
canSAR190437
ChEMBLCHEMBL175247
BindingDB24567
Commercially Available
Yes
Protein Targets


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 495.3923737966.88191688Yes


Compounds with the same scaffold


Image of compound ID: 190437
Murko Scaffold Family: 111 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12