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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1490074
CHEMBL1490074
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H16N4O

Additional synonyms for CHEMBL1490074 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(=O)Nc1ccc(Nc2nc(C)cc(C)n2)cc1
Standard InChI InChI=1S/C14H16N4O/c1-9-8-10(2)16-14(15-9)18-13-6-4-12(5-7-1 ...
Download InChI
Standard InChI Key ZEPSDPGTQUMXBG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1490074

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
256.3 256.1324 2.8 3 66.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.01 1.62 1.62 2 19 0.89

Structural Alerts

There are no structural alerts for CHEMBL1490074

Compound Cross References

ChemSpider ChemSpider:ZEPSDPGTQUMXBG-UHFFFAOYSA-N
PubChem SID: 49641320

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1490074



eMolecules 1512953
Mcule MCULE-5252806333
MolPort MolPort-002-014-950
PubChem 734481
ZINC ZINC000000150119

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