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

859919 - Overview - Compound Synopsis

Synonyms
TD7
Molecular Formula
C16H24N4O10P2S
InChI
InChI=1S/C16H24N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,21H,3-6,8H2,1-2H3,(H,22,23)(H,27,28)(H2,17,18,19)(H2,24,25,26)/b16-12+
Smiles
CC1=C(CCOP(=O)(O)OP(=O)(O)O)S/C(=C(/O)CCC(=O)O)N1Cc1cnc(C)nc1N
Cross References
UniChem1056816
canSAR859919
ChEMBLCHEMBL1738905
PDBe (Protein Data Bank Europe)TD7
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 526.0688372282.3558271457No


Compounds with the same scaffold


Image of compound ID: 859919
Murko Scaffold Family: 9 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12