ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL143812
CHEMBL143812
Compound Name
ChEMBL Synonyms Rac-Huprine H7
Max Phase 0
Trade Names
Molecular Formula C18H19ClN2

Additional synonyms for CHEMBL143812 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC1=CC2CC(C1)c3c(N)c4ccc(Cl)cc4nc3C2
Standard InChI InChI=1S/C18H19ClN2/c1-2-10-5-11-7-12(6-10)17-16(8-11)21-15- ...
Download InChI
Standard InChI Key QTPHSDHUHXUYFE-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL143812

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
298.8 298.1237 4.86 1 38.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.87 5.13 4.54 2 21 0.76

Structural Alerts

There are 2 structural alerts for CHEMBL143812. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QTPHSDHUHXUYFE-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL143812



BindingDB 10597
IBM Patent System 815FF30385F75D8DA03B2104BB39B767
PubChem 3632
PubChem: Thomson Pharma 14776048
SureChEMBL SCHEMBL7115053

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