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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL151454
CHEMBL151454
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H15N3O2

Additional synonyms for CHEMBL151454 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(OC(=O)c2ccc(NC(=N)N)cc2)cc1
Standard InChI InChI=1S/C15H15N3O2/c1-10-2-8-13(9-3-10)20-14(19)11-4-6-12(7 ...
Download InChI
Standard InChI Key OELAPCOUDOSGBC-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL151454

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
269.3 269.1164 2.52 3 88.2 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.9 2.31 .43 2 20 0.35

Structural Alerts

There are 7 structural alerts for CHEMBL151454. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OELAPCOUDOSGBC-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL151454



BindingDB 50405350
Guide to Pharmacology 8559
PubChem 44365677
ZINC ZINC000027564601

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