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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1492700
CHEMBL1492700
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H18N2O

Additional synonyms for CHEMBL1492700 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc(OCCCn2ccnc2)cc1C
Standard InChI InChI=1S/C14H18N2O/c1-12-4-5-14(10-13(12)2)17-9-3-7-16-8-6-1 ...
Download InChI
Standard InChI Key BVJQFSKSXFEDIP-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1492700

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 2.97 5 27.05 NEUTRAL


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
- 6.95 2.9 2.77 2 17 0.74

Structural Alerts

There are 1 structural alerts for CHEMBL1492700. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BVJQFSKSXFEDIP-UHFFFAOYSA-N
PubChem SID: 14733967

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1492700



eMolecules 2015208
Mcule MCULE-8020703502
MolPort MolPort-002-147-238
PubChem 2843780

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