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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1968324
CHEMBL1968324
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H17NO2

Additional synonyms for CHEMBL1968324 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(cc1)C2=NOC(=O)[C@@H]3CCCC[C@@H]23
Standard InChI InChI=1S/C15H17NO2/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)1 ...
Download InChI
Standard InChI Key QNBVEHSARSTNSS-CHWSQXEVSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1968324

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
243.3 243.1259 3.06 1 38.66 -


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
- - 3.05 3.05 1 18 0.71

Structural Alerts

There are 2 structural alerts for CHEMBL1968324. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QNBVEHSARSTNSS-CHWSQXEVSA-N
PubChem SID: 519478

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1968324



PubChem 388206
ZINC ZINC000005822810

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