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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL481081
CHEMBL481081
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H16N4O

Additional synonyms for CHEMBL481081 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(C)(C)c1nc2c(cccc2[nH]1)C(=O)N
Standard InChI InChI=1S/C12H16N4O/c1-12(2,14-3)11-15-8-6-4-5-7(10(13)17)9(8 ...
Download InChI
Standard InChI Key BLFXWOOHLAQKGB-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL481081

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
232.3 232.1324 1.12 3 83.8 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 12.27 1.79 .22 2 17 0.74

Structural Alerts

There are no structural alerts for CHEMBL481081

Compound Cross References

ChemSpider ChemSpider:BLFXWOOHLAQKGB-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL481081



BindingDB 50251657
PubChem 44567953
ZINC ZINC000040936067

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