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

1148806 - Overview - Compound Synopsis

Synonyms
TDW
Molecular Formula
C14H23N4O8P2S+
InChI
InChI=1S/C14H24N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,9,18-19H,4-5,7H2,1-3H3,(H,23,24)(H2,15,16,17)(H2,20,21,22)/t9-/m0/s1
Smiles
Cc1ncc(C[n+]2c(C(C)O)sc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1
Cross References
UniChem68940477
canSAR1148806
PDBe (Protein Data Bank Europe)TDW
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 469.070634376090.8950461252Yes


Compounds with the same scaffold


Image of compound ID: 1148806
Murko Scaffold Family: 45 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12