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

1016926 - Overview - Compound Synopsis

Synonyms
A99
Molecular Formula
C18H23N6O15P3
InChI
InChI=1S/C18H23N6O15P3/c1-9(10-4-2-3-5-11(10)24(27)28)37-41(31,32)39-42(33,34)38-40(29,30)35-6-12-14(25)15(26)18(36-12)23-8-22-13-16(19)20-7-21-17(13)23/h2-5,7-9,12,14-15,18,25-26H,6H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H2,19,20,21)/t9-,12+,14+,15+,18+/m0/s1
Smiles
CC(OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)c1ccccc1[N+](=O)[O-]
Cross References
UniChem27264806
canSAR1016926
PDBe (Protein Data Bank Europe)A99
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 656.0434239261.064772165No


Compounds with the same scaffold


Image of compound ID: 1016926
Murko Scaffold Family: 16972 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12