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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2094523
CHEMBL2094523
Compound Name
ChEMBL Synonyms DNDI1417202
Max Phase 0
Trade Names
Molecular Formula C14H16Cl2N2O

Additional synonyms for CHEMBL2094523 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES ClC1=C(Cl)C(=O)N(N=C1)C23CC4CC(CC(C4)C2)C3
Standard InChI InChI=1S/C14H16Cl2N2O/c15-11-7-17-18(13(19)12(11)16)14-4-8-1 ...
Download InChI
Standard InChI Key YQXPNXFPFBBPAM-UHFFFAOYSA-N

Sources

  • Drugs for Neglected Diseases Initiative (DNDi)

Alternate Forms of Compound in ChEMBL


CHEMBL2094523

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
299.2 298.064 3.48 1 34.89 NEUTRAL


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
- - 3.35 3.35 1 19 0.8

Structural Alerts

There are 2 structural alerts for CHEMBL2094523. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YQXPNXFPFBBPAM-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2094523



eMolecules 6773997
Mcule MCULE-7256752360
MolPort MolPort-001-522-020
PubChem 584802
SureChEMBL SCHEMBL3712956
ZINC ZINC000004558064

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