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

751864 - Overview - Compound Synopsis

Synonyms
PYI
Molecular Formula
C14H21N4O7P2+
InChI
InChI=1S/C14H20N4O7P2/c1-10-12(5-7-24-27(22,23)25-26(19,20)21)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8H,5,7,9H2,1-2H3,(H4-,15,16,17,19,20,21,22,23)/p+1
Smiles
Cc1ncc(C[n+]2cccc(CCO[P@](=O)(O)OP(=O)(O)O)c2C)c(N)n1
Cross References
UniChem647001
canSAR751864
PDBe (Protein Data Bank Europe)PYI
ChEMBLCHEMBL1235537
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 419.087998692090.7802451148No


Compounds with the same scaffold


Image of compound ID: 751864
Murko Scaffold Family: 8 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12