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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL62235
CHEMBL62235
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C16H16N2O

Additional synonyms for CHEMBL62235 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(c(C)n1)c2ccc3NC(=O)CCc3c2
Standard InChI InChI=1S/C16H16N2O/c1-10-3-6-14(11(2)17-10)12-4-7-15-13(9-12 ...
Download InChI
Standard InChI Key HESCRMHFWPKKIZ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL62235

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 2.21 1 41.99 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
- 6.02 2.76 2.75 2 19 0.85

Structural Alerts

There are no structural alerts for CHEMBL62235

Compound Cross References

ChemSpider ChemSpider:HESCRMHFWPKKIZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL62235



IBM Patent System 0BB233270F47B88C4350D5B6D494284B
PubChem 14221012
SureChEMBL SCHEMBL7264595
ZINC ZINC000026170626

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