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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1300752
CHEMBL1300752
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16N2O2

Additional synonyms for CHEMBL1300752 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCn1cc(\C=C\C(=O)c2ccc(O)cc2)c(C)n1
Standard InChI InChI=1S/C15H16N2O2/c1-3-17-10-13(11(2)16-17)6-9-15(19)12-4- ...
Download InChI
Standard InChI Key SFCUSJOYYNAHAS-RMKNXTFCSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1300752

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
256.3 256.1212 2.81 4 55.12 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.81 1.63 1.11 .97 2 19 0.68

Structural Alerts

There are 6 structural alerts for CHEMBL1300752. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SFCUSJOYYNAHAS-RMKNXTFCSA-N
PubChem SID: 24797993

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1300752



BindingDB 67607
eMolecules 25951726
Mcule MCULE-6901873562
MolPort MolPort-002-244-322
PubChem 5736984
ZINC ZINC000004349830

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