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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392932
CHEMBL2392932
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H24Cl2N4

Additional synonyms for CHEMBL2392932 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NCC(CCc2ccccc2)c3ccccc3)c1Cl)c4ccc(Cl)cn4
Standard InChI InChI=1S/C26H24Cl2N4/c1-18-24(28)26(32-25(31-18)23-15-14-22( ...
Download InChI
Standard InChI Key BIYGKGWPQHRVJY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392932

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
463.4 462.1378 6.98 8 50.7 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 1 4 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.42 7.25 7.25 4 32 0.31

Structural Alerts

There are no structural alerts for CHEMBL2392932

Compound Cross References

ChemSpider ChemSpider:BIYGKGWPQHRVJY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392932



BindingDB 50435184
Brenda 199448
PubChem 71602696
PubChem: Thomson Pharma 163683863

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