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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL481082
CHEMBL481082
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H18N4O

Additional synonyms for CHEMBL481082 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(C)(C)c1nc2c(cccc2[nH]1)C(=O)N
Standard InChI InChI=1S/C13H18N4O/c1-13(2,17(3)4)12-15-9-7-5-6-8(11(14)18)1 ...
Download InChI
Standard InChI Key VEJUKQSFQCPCBW-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL481082

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
246.3 246.1481 1.46 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
- 10.96 1.98 .91 2 18 0.86

Structural Alerts

There are no structural alerts for CHEMBL481082

Compound Cross References

ChemSpider ChemSpider:VEJUKQSFQCPCBW-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL481082



BindingDB 50251658
PubChem 44567954
ZINC ZINC000040936336

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