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

1005406 - Overview - Compound Synopsis

Synonyms
Molecular Formula
C35H47N3O19S2
InChI
InChI=1S/C35H47N3O19S2/c1-16(39)48-14-25-28(57-34-32(54-22(7)45)30(52-20(5)43)27(50-18(3)41)26(56-34)15-49-17(2)40)29(51-19(4)42)31(53-21(6)44)33(55-25)38-35(58)37-13-12-23-8-10-24(11-9-23)59(36,46)47/h8-11,25-34H,12-15H2,1-7H3,(H2,36,46,47)(H2,37,38,58)/t25-,26-,27+,28-,29+,30+,31-,32-,33-,34+/m1/s1
Smiles
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](NC(=S)NCCc3ccc(S(N)(=O)=O)cc3)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
Cross References
UniChem27223466
canSAR1005406
ChEMBLCHEMBL1956757
BindingDB50366051
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 877.224518284-1.0397422106Yes


Compounds with the same scaffold


Image of compound ID: 1005406
Murko Scaffold Family: 975 compoundsClick here to open a new canSAR search with these compounds

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