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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1488720
CHEMBL1488720
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H18N2O

Additional synonyms for CHEMBL1488720 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC(=O)NCCn1c(C)cc2ccccc12
Standard InChI InChI=1S/C14H18N2O/c1-3-14(17)15-8-9-16-11(2)10-12-6-4-5-7-1 ...
Download InChI
Standard InChI Key XPSXNFMXKDKSLZ-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1488720

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
230.3 230.1419 2.48 4 34.03 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
- - 2.95 2.95 2 17 0.86

Structural Alerts

There are no structural alerts for CHEMBL1488720

Compound Cross References

ChemSpider ChemSpider:XPSXNFMXKDKSLZ-UHFFFAOYSA-N
PubChem SID: 7971751

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1488720



BindingDB 88694
eMolecules 2598138
Mcule MCULE-5339911970
PubChem 4652371
ZINC ZINC000000427913

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