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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL71403
CHEMBL71403
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C26H25N3

Additional synonyms for CHEMBL71403 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCC(CC1)c2ccc(cc2)c3[nH]c(nc3c4ccncc4)c5ccccc5
Standard InChI InChI=1S/C26H25N3/c1-3-7-19(8-4-1)20-11-13-21(14-12-20)24-25 ...
Download InChI
Standard InChI Key DLDADGQNHVHAGP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL71403

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
379.5 379.2048 6.85 4 41.57 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.69 3.68 6.15 6.15 4 29 0.42

Structural Alerts

There are no structural alerts for CHEMBL71403

Compound Cross References

ChemSpider ChemSpider:DLDADGQNHVHAGP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL71403



BindingDB 50077952
PubChem 44309758
ZINC ZINC000026289056

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