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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL247024
CHEMBL247024
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C30H28N4O

Additional synonyms for CHEMBL247024 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N#Cc1cnc2ccc(cc2c1N[C@@H]3C[C@H]3c4ccccc4)c5ccc(CN6CCOCC6)cc ...
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Standard InChI InChI=1S/C30H28N4O/c31-18-25-19-32-28-11-10-24(22-8-6-21(7-9 ...
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Standard InChI Key IJICIGXZTZGSSZ-LITSAYRRSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL247024

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
- 6.29 5.05 5.02 4 35 0.41

Structural Alerts

There are no structural alerts for CHEMBL247024

Compound Cross References

ChemSpider ChemSpider:IJICIGXZTZGSSZ-LITSAYRRSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL247024



BindingDB 50221525
PubChem 44442744
ZINC ZINC000028952936

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