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

1425802 - Overview - Compound Synopsis

Synonyms
5SR
Molecular Formula
C13H18N4O9P2S
InChI
InChI=1S/C13H18N4O9P2S/c1-7-10(3-4-25-28(23,24)26-27(20,21)22)29-12(13(18)19)17(7)6-9-5-15-8(2)16-11(9)14/h5H,3-4,6H2,1-2H3,(H5-,14,15,16,18,19,20,21,22,23,24)
Smiles
Cc1ncc(C[n+]2c(C(=O)O)sc(CCOP(=O)(O)OP(=O)([O-])O)c2C)c(N)n1
Cross References
UniChem110846398
canSAR1425802
PDBe (Protein Data Bank Europe)5SR
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 468.026972416-0.0920651347Yes


Compounds with the same scaffold


Image of compound ID: 1425802
Murko Scaffold Family: 45 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12