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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392934
CHEMBL2392934
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H28Cl2N4

Additional synonyms for CHEMBL2392934 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NCC(CCCCc2ccccc2)c3ccccc3)c1Cl)c4ccc(Cl)cn4
Standard InChI InChI=1S/C28H28Cl2N4/c1-20-26(30)28(34-27(33-20)25-17-16-24( ...
Download InChI
Standard InChI Key UMYSFRKZNJWCIX-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392934

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
491.5 490.1691 7.76 10 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
- 2.43 8.63 8.63 4 34 0.23

Structural Alerts

There are 2 structural alerts for CHEMBL2392934. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UMYSFRKZNJWCIX-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392934



BindingDB 50435182
PubChem 71602796
PubChem: Thomson Pharma 163683996

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