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

872532 - Overview - Compound Synopsis

Synonyms
TIR
Molecular Formula
C22H29NO6
InChI
InChI=1S/C22H29NO6/c1-11(6-7-15(24)18-17(26)10-23-21(18)27)8-12(2)19-14(4)20-16(25)9-13(3)22(5,28-19)29-20/h6-9,12,14,16,19-20,24-25H,10H2,1-5H3,(H,23,27)/b7-6+,11-8+,18-15-/t12-,14-,16+,19-,20+,22+/m1/s1
Smiles
CC1=C[C@H](O)[C@H]2O[C@]1(C)O[C@H]([C@H](C)/C=C(C)/C=C/C(O)=C1\C(=O)CNC1=O)[C@H]2C
Cross References
UniChem1077957
canSAR872532
PDBe (Protein Data Bank Europe)TIR
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 403.1994876482.09313758Yes


Compounds with the same scaffold


Image of compound ID: 872532
Murko Scaffold Family: 3 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12