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

1148343 - Overview - Compound Synopsis

Synonyms
JTU
Molecular Formula
C21H20BrNO2
InChI
InChI=1S/C21H20BrNO2/c1-4-12(2)14-5-7-15(8-6-14)20-13(3)19(21(24)25)17-11-16(22)9-10-18(17)23-20/h5-12H,4H2,1-3H3,(H,24,25)/t12-/m1/s1
Smiles
CCC(C)c1ccc(-c2nc3ccc(Br)cc3c(C(=O)O)c2C)cc1
Cross References
UniChem54112165
canSAR1148343
PDBe (Protein Data Bank Europe)JTU
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 397.067740986.184421345No