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

748128 - Overview - Compound Synopsis

Synonyms
CO-IDIPHOSPHOPYRIDINE NUCLEOTIDE
DPNDiphosphopyridine Nucleotide
NADNAD+
NADIDENAH
NAJNICOTINAMIDE ADENINE DINUCLEOTIDE
NadideNicotinamide Adenine Dinucleotide
Nicotinamide Adinine DinucleotideNicotinamide adenine dinucleotide
Molecular Formula
C21H27N7O14P2
InChI
InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Smiles
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
Cross References
UniChem649814
canSAR748128
PDBe (Protein Data Bank Europe)NAJ
PDBe (Protein Data Bank Europe)NAD
ChEMBLCHEMBL1234613
BindingDB213227
PDBe (Protein Data Bank Europe)NAH
Commercially Available
Yes


MOLECULAR_WEIGHT ALOGP HBOND_DONORS HBOND_ACCEPTORS ATOMS CONTAINS_TOXICOPHORE
Properties 663.109121804-3.647992171No


Compounds with the same scaffold


Image of compound ID: 748128
Murko Scaffold Family: 16972 compoundsClick here to open a new canSAR search with these compounds

Maximum number shown here is 12