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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL113238
CHEMBL113238
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H22N2O

Additional synonyms for CHEMBL113238 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cccc2Cc3ccccc3[C@@H]4CN(C)CCN4c12
Standard InChI InChI=1S/C19H22N2O/c1-20-10-11-21-17(13-20)16-8-4-3-6-14(16) ...
Download InChI
Standard InChI Key GZXNMNCAWGIAAW-KRWDZBQOSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL113238

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
294.4 294.1732 3.09 1 15.71 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
- 8.27 1.36 .92 2 22 0.8

Structural Alerts

There are no structural alerts for CHEMBL113238

Compound Cross References

ChemSpider ChemSpider:GZXNMNCAWGIAAW-KRWDZBQOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL113238



BindingDB 50115640
PubChem 11033734
PubChem: Thomson Pharma 16097732
ZINC ZINC000013475061

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