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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL311230
CHEMBL311230
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H18Cl3N3O2

Additional synonyms for CHEMBL311230 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Clc1ccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc5ccccc35)c(Cl)c2)c(Cl)c ...
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Standard InChI InChI=1S/C26H18Cl3N3O2/c27-17-7-9-20(22(28)12-17)25(33)30-18 ...
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Standard InChI Key DPJXIUXSMVOLCY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL311230

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
510.8 509.0465 6.91 3 54.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 2 5 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.95 - 6.37 6.37 4 34 0.33

Structural Alerts

There are no structural alerts for CHEMBL311230

Compound Cross References

ChemSpider ChemSpider:DPJXIUXSMVOLCY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL311230



BindingDB 50065125
PubChem 10673295
PubChem: Thomson Pharma 15706070
ZINC ZINC000013780026

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