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

122260 - Overview - Compound Synopsis

Synonyms
APCAlpha,beta-MeATP
DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
Molecular Formula
C11H18N5O12P3
InChI
InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
Smiles
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
Cross References
UniChem361279
canSAR122260
PDBe (Protein Data Bank Europe)APC
ChEMBLCHEMBL132722
BindingDB50118221
Commercially Available
Unknown


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 505.016480906-1.518181749No


Compounds with the same scaffold


Image of compound ID: 122260
Murko Scaffold Family: 16972 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12





Compound Lineages


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