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

123991 - Overview - Compound Synopsis

Synonyms
LABLATRUNCULIN B
NSC-339663
Molecular Formula
C20H29NO5S
InChI
InChI=1S/C20H29NO5S/c1-13-5-3-4-6-14(2)9-18(22)25-16-10-15(8-7-13)26-20(24,11-16)17-12-27-19(23)21-17/h3,5,9,13,15-17,24H,4,6-8,10-12H2,1-2H3,(H,21,23)/b5-3-,14-9-/t13-,15-,16-,17+,20-/m1/s1
Smiles
C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2
Cross References
UniChem421913
canSAR123991
ChEMBLCHEMBL411879
PDBe (Protein Data Bank Europe)LAB
Commercially Available
Yes


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 395.1766440283.30342656Yes


Compounds with the same scaffold


Image of compound ID: 123991
Murko Scaffold Family: 15 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12