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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1570824
CHEMBL1570824
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H14N2O

Additional synonyms for CHEMBL1570824 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccccc1c2oc(nn2)c3ccccc3C
Standard InChI InChI=1S/C16H14N2O/c1-11-7-3-5-9-13(11)15-17-18-16(19-15)14- ...
Download InChI
Standard InChI Key PMGVHHSGIQBGCK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1570824

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 4.02 2 38.92 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
- - 5.66 5.66 3 19 0.69

Structural Alerts

There are no structural alerts for CHEMBL1570824

Compound Cross References

ChemSpider ChemSpider:PMGVHHSGIQBGCK-UHFFFAOYSA-N
PubChem SID: 14728439

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1570824



ACToR 22020-68-4
BindingDB 76391
eMolecules 4868413
EPA CompTox Dashboard DTXSID70176488
Mcule MCULE-5547355577
MolPort MolPort-002-798-324
Nikkaji J935.049G
PubChem 30897
SureChEMBL SCHEMBL7756394
ZINC ZINC000000338627

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