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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL354514
CHEMBL354514
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H10Cl2N2O

Additional synonyms for CHEMBL354514 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1cccc(OCc2nc3ccccc3[nH]2)c1Cl
Standard InChI InChI=1S/C14H10Cl2N2O/c15-9-4-3-7-12(14(9)16)19-8-13-17-10-5 ...
Download InChI
Standard InChI Key IZUNHOUXVBCJCD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL354514

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
293.2 292.017 4.45 3 37.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.3 4.74 4.28 4.27 3 19 0.77

Structural Alerts

There are no structural alerts for CHEMBL354514

Compound Cross References

ChemSpider ChemSpider:IZUNHOUXVBCJCD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL354514



BindingDB 50404931
PubChem 44382776
ZINC ZINC000028003223

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