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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL560403
CHEMBL560403
Compound Name DEOXYCYTIDINE TRIPHOSPHATE
ChEMBL Synonyms 2'-Deoxycytidine 5'-Triphosphate | Deoxycytidine Triphosphate
Max Phase 0
Trade Names
Molecular Formula C9H16N3O13P3

Additional synonyms for CHEMBL560403 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP ...
Download SMILES
Standard InChI InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8 ...
Download InChI
Standard InChI Key RGWHQCVHVJXOKC-SHYZEUOFSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL560403

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
467.2 466.9896 -1.18 8 250.19 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
12 6 2 16 7 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.8 4.26 -4.81 -10.82 1 28 0.25

Structural Alerts

There are 9 structural alerts for CHEMBL560403. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RGWHQCVHVJXOKC-SHYZEUOFSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL560403



ACToR 102783-51-7
Brenda 99887 132766 35072 179 38419 112275 125257
ChEBI 16311
DrugBank DB03258
eMolecules 31267425
Human Metabolome Database HMDB0000998
IBM Patent System B76FFCF8001D8141A4780A0A09A2A4D4
KEGG Ligand C00458
Metabolights MTBLC16311
MolPort MolPort-016-638-289
Nikkaji J247.702E
PDBe DCP
PubChem 65091
PubChem: Thomson Pharma 15479109
SureChEMBL SCHEMBL42135
ZINC ZINC000008215945

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