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

1100123 - Overview - Compound Synopsis

Synonyms
I4I
Molecular Formula
C26H32N4O8
InChI
InChI=1S/C26H32N4O8/c1-13(2)22-26(36)37-15(4)19(30-24(34)20-18(31)8-6-10-28-20)23(33)29-17(11-16-7-5-9-27-12-16)21(32)14(3)25(35)38-22/h5-10,12-15,17,19,21-22,31-32H,11H2,1-4H3,(H,29,33)(H,30,34)/t14-,15-,17+,19+,21+,22-/m1/s1
Smiles
CC(C)[C@H]1OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O
Cross References
UniChem34745763
canSAR1100123
ChEMBLCHEMBL2323583
PDBe (Protein Data Bank Europe)I4I
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 528.2220139840.518241270No


Compounds with the same scaffold


Image of compound ID: 1100123
Murko Scaffold Family: 2 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12