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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL399438
CHEMBL399438
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H28N4O

Additional synonyms for CHEMBL399438 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N#Cc1cnc2cc(ccc2c1N[C@@H]3C[C@H]3c4ccccc4)c5ccc(CN6CCOCC6)cc ...
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Standard InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-16-24(22-8-6-21(7-9-22 ...
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Standard InChI Key VIGFESXSWDXMJU-LMSSTIIKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL399438

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
460.6 460.2263 5.57 6 61.18 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 1 5 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.36 4.77 4.74 4 35 0.41

Structural Alerts

There are no structural alerts for CHEMBL399438

Compound Cross References

ChemSpider ChemSpider:VIGFESXSWDXMJU-LMSSTIIKSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL399438



BindingDB 50221529
PubChem 44442745
ZINC ZINC000028952938

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