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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL394429
CHEMBL394429
Compound Name THYMIDINE MONOPHOSPHATE
ChEMBL Synonyms Thymidine Monophosphate | Thymidine-5'-Phosphate | 2'-Deoxythymidine Monophosphate | Thymidine-5'-Monophosphate Disodium Salt
Max Phase 0
Trade Names
Molecular Formula C10H15N2O8P

Additional synonyms for CHEMBL394429 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C(=O)NC1=O
Standard InChI InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20 ...
Download InChI
Standard InChI Key GYOZYWVXFNDGLU-XLPZGREQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL394429

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
322.2 322.0566 -1.31 4 155.43 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 4 0 10 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.86 - -3.04 -7.3 0 21 0.47

Structural Alerts

There are 5 structural alerts for CHEMBL394429. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:GYOZYWVXFNDGLU-XLPZGREQSA-N
Wikipedia Thymidine_monophosphate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL394429



ACToR 25086-81-1 108320-91-8 2642-43-5
BindingDB 50332929
Brenda 110358 135994 95197 30950 635 2687 20543 105136 102265 149650 1020 7344 124700 36544 21257 182280 2820 3315 104400
ChEBI 17013
DrugBank DB01643
eMolecules 36092312
FDA SRS 43W3021X6C
Human Metabolome Database HMDB0001227
IBM Patent System A9434952F1F9B0D1DC211A4EC7BE9BCA
KEGG Ligand C00364
Metabolights MTBLC17013
Nikkaji J150.344H
PDBe TMP DT
PubChem 9700
PubChem: Thomson Pharma 14870651
SureChEMBL SCHEMBL21257
ZINC ZINC000001678872

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