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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL525239
CHEMBL525239
Compound Name
ChEMBL Synonyms Trans-Zeatin
Max Phase 0
Trade Names
Molecular Formula C10H13N5O

Additional synonyms for CHEMBL525239 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C(=C/CNc1ncnc2[nH]cnc12)\CO
Standard InChI InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14 ...
Download InChI
Standard InChI Key UZKQTCBAMSWPJD-FARCUNLSSA-N

Sources

  • Gene Expression Atlas Compounds
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL525239

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
219.3 219.112 0.7 4 86.72 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 6 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.86 3.14 .75 .75 2 16 0.66

Structural Alerts

There are 1 structural alerts for CHEMBL525239. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UZKQTCBAMSWPJD-FARCUNLSSA-N
PubChem SID: 11113291 SID: 26754340 SID: 47193867

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL525239



ACToR 1637-39-4
Atlas trans-zeatin t-zeatin
BindingDB 227637
Brenda 2421 152565 2877 15687
ChEBI 16522
ChemicalBook CB8177373
DrugBank DB11337
eMolecules 713885 26749692
EPA CompTox Dashboard DTXSID9040631
FDA SRS 7I6OOJ9GR6
Human Metabolome Database HMDB0012204
KEGG Ligand C00371
Metabolights MTBLC16522
MolPort MolPort-003-981-851 MolPort-003-939-928
Nikkaji J3.243.127E J7.540J
NMRShiftDB 10017747
PDBe ZEA
PubChem 449093
PubChem: Thomson Pharma 15172105
Rhea 16522
SureChEMBL SCHEMBL49689
ZINC ZINC000004492895

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