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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL511347
CHEMBL511347
Compound Name
ChEMBL Synonyms WY-46824
Max Phase 0
Trade Names
Molecular Formula C19H31Cl3N2O

Additional synonyms for CHEMBL511347 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.Cl.CN1CCN(CC(c2cccc(Cl)c2)C3(O)CCCCC3)CC1
Standard InChI InChI=1S/C19H29ClN2O.2ClH/c1-21-10-12-22(13-11-21)15-18(16-6 ...
Download InChI
Standard InChI Key KVRIVKGFVFCJEI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL511347

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
336.9 336.1968 3.66 4 26.71 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.63 2.95 2.45 1 23 0.91

Structural Alerts

There are no structural alerts for CHEMBL511347

Compound Cross References

ChemSpider ChemSpider:KVRIVKGFVFCJEI-UHFFFAOYSA-N
Wikipedia WY-46824

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL511347



PubChem 24895127
PubChem: Thomson Pharma 53779319

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