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

2038157 - Overview - Compound Synopsis

Synonyms
7D9
Molecular Formula
C22H31N4O12PS
InChI
InChI=1S/C22H31N4O12PS/c1-9-5-11-16-15(10(9)2)22(3,4)6-14(40(35,36)37)26(16)17-19(23-21(31)24-20(17)30)25(11)7-12(27)18(29)13(28)8-38-39(32,33)34/h5,12-14,18,27-29H,6-8H2,1-4H3,(H2,32,33,34)(H,35,36,37)(H2,23,24,30,31)/t12-,13+,14+,18-/m0/s1
Smiles
Cc1cc2c3c(c1C)C(C)(C)CC(S(=O)(=O)O)N3c1c([nH]c(=O)[nH]c1=O)N2CC(O)C(O)C(O)COP(=O)(O)O
Cross References
UniChem149534962
canSAR2038157
PDBe (Protein Data Bank Europe)7D9
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 606.139680062-0.6431681671No