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

1429988 - Overview - Compound Synopsis

Synonyms
4LS
Molecular Formula
C22H31N4O9P
InChI
InChI=1S/C22H31N4O9P/c1-11(2)5-6-25-14-7-12(3)13(4)8-15(14)26(20-18(25)21(30)24-22(31)23-20)9-16(27)19(29)17(28)10-35-36(32,33)34/h5,7-8,16-17,19,27-29H,6,9-10H2,1-4H3,(H2,32,33,34)(H2,23,24,30,31)/t16-,17+,19-/m0/s1
Smiles
CC(C)=CCN1c2cc(C)c(C)cc2N(CC(O)C(O)C(O)COP(=O)(O)O)c2[nH]c(=O)[nH]c(=O)c21
Cross References
UniChem100663300
canSAR1429988
PDBe (Protein Data Bank Europe)4LS
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 526.1828652020.4278471367No