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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1970274
CHEMBL1970274
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H16N2O

Additional synonyms for CHEMBL1970274 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(N\N=C\CCc1ccccc1)c2ccccc2
Standard InChI InChI=1S/C16H16N2O/c19-16(15-11-5-2-6-12-15)18-17-13-7-10-14 ...
Download InChI
Standard InChI Key YQBFBHSIZYCIDT-GHRIWEEISA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1970274

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
252.3 252.1263 3.04 5 41.46 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.69 2.02 3.32 3.32 2 19 0.64

Structural Alerts

There are 6 structural alerts for CHEMBL1970274. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YQBFBHSIZYCIDT-GHRIWEEISA-N
PubChem SID: 17403223

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1970274



Mcule MCULE-1195993162
MolPort MolPort-001-031-091
Nikkaji J944.051H J2.729.060D
PubChem 9592741
PubChem: Thomson Pharma 16120719
SureChEMBL SCHEMBL4923704
ZINC ZINC000004117798

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