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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL510023
CHEMBL510023
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H13FN4

Additional synonyms for CHEMBL510023 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(c(c1)C2Cc3nccn3C2)n4cccn4
Standard InChI InChI=1S/C15H13FN4/c16-12-2-3-14(20-6-1-4-18-20)13(9-12)11-8 ...
Download InChI
Standard InChI Key JODPZPWJZRBJSA-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL510023

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
268.3 268.1124 2.55 2 35.64 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.3 1.39 1.14 3 20 0.72

Structural Alerts

There are no structural alerts for CHEMBL510023

Compound Cross References

ChemSpider ChemSpider:JODPZPWJZRBJSA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL510023



BindingDB 50258643
PubChem 44574137

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