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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL481084
CHEMBL481084
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H20N4O

Additional synonyms for CHEMBL481084 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(N1CCCC1)c2nc3c(cccc3[nH]2)C(=O)N
Standard InChI InChI=1S/C15H20N4O/c1-15(2,19-8-3-4-9-19)14-17-11-7-5-6-10(1 ...
Download InChI
Standard InChI Key MVQMCGAJDMVGJP-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL481084

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
272.4 272.1637 1.99 3 75.01 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 11.62 2.56 .6 2 20 0.9

Structural Alerts

There are no structural alerts for CHEMBL481084

Compound Cross References

ChemSpider ChemSpider:MVQMCGAJDMVGJP-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL481084



BindingDB 50251661
PubChem 44567957
ZINC ZINC000040933175

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