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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2392933
CHEMBL2392933
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C27H26Cl2N4

Additional synonyms for CHEMBL2392933 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(nc(NCC(CCCc2ccccc2)c3ccccc3)c1Cl)c4ccc(Cl)cn4
Standard InChI InChI=1S/C27H26Cl2N4/c1-19-25(29)27(33-26(32-19)24-16-15-23( ...
Download InChI
Standard InChI Key YHONDVDFCSNITI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2392933

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
477.4 476.1535 7.37 9 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 7.95 7.95 4 33 0.27

Structural Alerts

There are no structural alerts for CHEMBL2392933

Compound Cross References

ChemSpider ChemSpider:YHONDVDFCSNITI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2392933



BindingDB 50435183
PubChem 71602697
PubChem: Thomson Pharma 163683864

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