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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1570682
CHEMBL1570682
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H14N2O

Additional synonyms for CHEMBL1570682 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc2ccccc2n1CC(=O)c3ccccc3
Standard InChI InChI=1S/C16H14N2O/c1-12-17-14-9-5-6-10-15(14)18(12)11-16(19 ...
Download InChI
Standard InChI Key LHGHIHJGYHJGOX-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1570682

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
250.3 250.1106 3.23 3 34.89 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.79 3.48 3.48 3 19 0.67

Structural Alerts

There are 1 structural alerts for CHEMBL1570682. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LHGHIHJGYHJGOX-UHFFFAOYSA-N
PubChem SID: 49644144

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1570682



eMolecules 1186897
Mcule MCULE-8186170823
MolPort MolPort-001-017-289
Nikkaji J3.111.737B
PubChem 417677
ZINC ZINC000000243211

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