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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL580360
CHEMBL580360
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H19N3O

Additional synonyms for CHEMBL580360 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c2C(=O)N(C(c3ccccc3)c2nn1c4ccccc4)c5ccccc5
Standard InChI InChI=1S/C24H19N3O/c1-17-21-22(25-27(17)20-15-9-4-10-16-20)2 ...
Download InChI
Standard InChI Key VMEOTDOTDMGYLX-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL580360

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
365.4 365.1528 4.88 3 38.13 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.55 4.55 4 28 0.52

Structural Alerts

There are no structural alerts for CHEMBL580360

Compound Cross References

ChemSpider ChemSpider:VMEOTDOTDMGYLX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL580360



PubChem 44522996

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