ChEMBL logo

ChEMBL
Wellcome Trust Logo
spacer
ChEMBL Statistics
  Loading Statistics...
ChEMBL Blog
spacer
Check out our New Interface (Beta) . Learn More .
EBI Databases Small Molecules ChEMBL Database CHEMBL1173832

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1173832
CHEMBL1173832
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H24ClN3O3

Additional synonyms for CHEMBL1173832 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.C[C@@H]1NN[C@@H](CNC(=O)c2ccc(cc2)c3ccccc3)[C@H](O)[C@@H] ...
Download SMILES
Standard InChI InChI=1S/C19H23N3O3.ClH/c1-12-17(23)18(24)16(22-21-12)11-20- ...
Download InChI
Standard InChI Key JPMIFVDTFVHDRW-DVDIQFGZSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1173832

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
341.4 341.1739 0.67 4 93.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 5 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.84 7.3 1.28 .91 2 25 0.56

Structural Alerts

There are 3 structural alerts for CHEMBL1173832. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JPMIFVDTFVHDRW-DVDIQFGZSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1173832



PubChem 49799500

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