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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2094395
CHEMBL2094395
Compound Name
ChEMBL Synonyms DNDI1417030
Max Phase 0
Trade Names
Molecular Formula C13H19Cl2N

Additional synonyms for CHEMBL2094395 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)C(N)CCc1ccc(Cl)cc1Cl
Standard InChI InChI=1S/C13H19Cl2N/c1-13(2,3)12(16)7-5-9-4-6-10(14)8-11(9)1 ...
Download InChI
Standard InChI Key IPIJLMABDDHRPZ-UHFFFAOYSA-N

Sources

  • Drugs for Neglected Diseases Initiative (DNDi)

Alternate Forms of Compound in ChEMBL


CHEMBL2094395

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
260.2 259.0895 4.3 3 26.02 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.32 4.76 2.06 1 16 0.86

Structural Alerts

There are no structural alerts for CHEMBL2094395

Compound Cross References

ChemSpider ChemSpider:IPIJLMABDDHRPZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2094395



PubChem 43370493

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