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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2417616
CHEMBL2417616
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C23H18N2

Additional synonyms for CHEMBL2417616 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(c1ccc(nc1)c2ccccc2)c3cncc(c3)c4ccccc4
Standard InChI InChI=1S/C23H18N2/c1-3-7-20(8-4-1)22-14-19(15-24-17-22)13-18 ...
Download InChI
Standard InChI Key GVIQYPDPVMBMME-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2417616

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
322.4 322.147 5.4 4 25.78 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.61 5.34 5.34 4 25 0.5

Structural Alerts

There are no structural alerts for CHEMBL2417616

Compound Cross References

ChemSpider ChemSpider:GVIQYPDPVMBMME-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2417616



BindingDB 50439060
PubChem 73356736
ZINC ZINC000096282867

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