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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2203975
CHEMBL2203975
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H14N2O2

Additional synonyms for CHEMBL2203975 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ON1C(=O)C=C(C=C1c2ccc3[nH]ccc3c2)c4ccccc4
Standard InChI InChI=1S/C19H14N2O2/c22-19-12-16(13-4-2-1-3-5-13)11-18(21(19 ...
Download InChI
Standard InChI Key NCXNYFQTLSLVAH-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2203975

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
302.3 302.1055 3.9 2 58.02 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
5.91 - 3.74 2.36 4 23 0.55

Structural Alerts

There are 2 structural alerts for CHEMBL2203975. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NCXNYFQTLSLVAH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2203975



BindingDB 50402207
Brenda 196287
PubChem 71450394
PubChem: Thomson Pharma 163525855
ZINC ZINC000095563838

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