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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2425185
CHEMBL2425185
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H15N

Additional synonyms for CHEMBL2425185 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1)n2c3ccccc3c4ccccc24
Standard InChI InChI=1S/C19H15N/c1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18 ...
Download InChI
Standard InChI Key OZVXBXKVMMIGDV-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2425185

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
257.3 257.1204 5.09 1 4.93 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 0 1 1 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 6.12 6.12 4 20 0.45

Structural Alerts

There are 1 structural alerts for CHEMBL2425185. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OZVXBXKVMMIGDV-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2425185



eMolecules 30316003
EPA CompTox Dashboard DTXSID30578409
IBM Patent System 08DF2484573A9957EB14670F7C2866C3
MolPort MolPort-028-747-315
Nikkaji J1.948.845D
PubChem 15798651
SureChEMBL SCHEMBL29110
ZINC ZINC000034745005

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