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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1488467
CHEMBL1488467
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H10N2O2

Additional synonyms for CHEMBL1488467 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1
Standard InChI InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8 ...
Download InChI
Standard InChI Key UPMLOUAZCHDJJD-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1488467

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
250.3 250.0742 3.21 4 58.86 -


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
- - 4.73 4.73 2 19 0.62

Structural Alerts

There are 8 structural alerts for CHEMBL1488467. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UPMLOUAZCHDJJD-UHFFFAOYSA-N
PubChem SID: 144207466 SID: 144212902 SID: 17389255

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1488467



ACToR 9016-87-9 12125-47-2 101-68-8
ChEBI 53218
eMolecules 492467
EPA CompTox Dashboard DTXSID7025180
FDA SRS B0LO6BBS8C
IBM Patent System CDBC4C90968F2601E978224C40AEEA03
KEGG Ligand C19453
Mcule MCULE-4402925766
MolPort MolPort-001-732-425
Nikkaji J3.231J
NMRShiftDB 20097550
PubChem 7570
PubChem: Thomson Pharma 14995606
SureChEMBL SCHEMBL19943
ZINC ZINC000001700075

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