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

1016846 - Overview - Compound Synopsis

Synonyms
0TQ
Molecular Formula
C32H42N4O8S
InChI
InChI=1S/C32H42N4O8S/c1-19(2)16-36(45(40,41)22-10-11-25-24(15-22)29(20(3)33-4)30(38)34-25)17-27(37)26(14-21-8-6-5-7-9-21)35-32(39)44-28-18-43-31-23(28)12-13-42-31/h5-11,15,19,23,26-28,31,33,37H,12-14,16-18H2,1-4H3,(H,34,38)(H,35,39)/b29-20-/t23-,26-,27+,28-,31+/m0/s1
Smiles
CN/C(C)=C1\C(=O)Nc2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)cc21
Cross References
UniChem27264945
canSAR1016846
PDBe (Protein Data Bank Europe)0TQ
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 642.2723353042.695641287Yes


Compounds with the same scaffold


Image of compound ID: 1016846
Murko Scaffold Family: 1845 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12