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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL315772
CHEMBL315772
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H21ClN2O

Additional synonyms for CHEMBL315772 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CC1CC2N(O1)c3cc(Cl)ccc3Cc4ccccc24
Standard InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9- ...
Download InChI
Standard InChI Key JTLCTTWVUAIQHD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL315772

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
328.8 328.1342 4.06 2 15.71 BASE


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
- 8.66 3.44 2.03 2 23 0.83

Structural Alerts

There are no structural alerts for CHEMBL315772

Compound Cross References

ChemSpider ChemSpider:JTLCTTWVUAIQHD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL315772



BindingDB 50403975
Nikkaji J1.676.865K
PubChem 10381889
PubChem: Thomson Pharma 15396992

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