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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL295069
CHEMBL295069
Compound Name SODIUM beta-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H28N7O17P3

Additional synonyms for CHEMBL295069 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@ ...
Download SMILES
Standard InChI InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21 ...
Download InChI
Standard InChI Key XJLXINKUBYWONI-NNYOXOHSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL295069

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
743.4 743.0755 -3.53 13 367.62 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
19 8 3 24 10 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.13 3.82 -8.25 -9.51 3 48 0.06

Structural Alerts

There are 9 structural alerts for CHEMBL295069. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XJLXINKUBYWONI-NNYOXOHSSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL295069



ACToR 10213-33-9
ChEBI 44409
ChemicalBook CB9319046
DrugBank DB03461
eMolecules 883948
Metabolights MTBLC44409
MolPort MolPort-003-939-771
PDBe NAP
PubChem 57525501 5885
PubChem: Thomson Pharma 14766662 14791007
SureChEMBL SCHEMBL7869

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XJLXINKUBYWONI-NNYOXOHSSA-N spacer
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