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

666104 - Overview - Compound Synopsis

Synonyms
Z76
Molecular Formula
C35H42F2N4O6S
InChI
InChI=1S/C35H42F2N4O6S/c1-22-6-4-8-30(14-22)48(45,46)40-11-9-38-32(20-40)33(42)31(17-24-15-27(36)19-28(37)16-24)39-34(43)25-12-23(2)13-26(18-25)35(44)41-10-5-7-29(41)21-47-3/h4,6,8,12-16,18-19,29,31-33,38,42H,5,7,9-11,17,20-21H2,1-3H3,(H,39,43)/t29-,31+,32-,33+/m1/s1
Smiles
COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cccc(C)c3)CCN2)c1
Cross References
UniChem129400
canSAR666104
PDBe (Protein Data Bank Europe)Z76
ChEMBLCHEMBL1097342
BindingDB50317048
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 684.2793125043.1973431090No


Compounds with the same scaffold


Image of compound ID: 666104
Murko Scaffold Family: 1 compoundsClick here to open a new canSAR search with these compounds

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