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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL24747
CHEMBL24747
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H24N4O

Additional synonyms for CHEMBL24747 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOc1ccc(cc1)n2c(C)c3c(C)nnc(N(C)C)c3c2C
Standard InChI InChI=1S/C19H24N4O/c1-7-24-16-10-8-15(9-11-16)23-13(3)17-12( ...
Download InChI
Standard InChI Key LJBBDRGVLUPWEP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL24747

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
324.4 324.195 3.81 4 43.18 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.57 3.74 3.65 3 24 0.73

Structural Alerts

There are no structural alerts for CHEMBL24747

Compound Cross References

ChemSpider ChemSpider:LJBBDRGVLUPWEP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL24747



BindingDB 50140632
IBM Patent System AAB456D312F9699B82583089C861840C
PubChem 10448940
PubChem: Thomson Pharma 15470223
SureChEMBL SCHEMBL5005813
ZINC ZINC000028756437

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