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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2435479
CHEMBL2435479
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H16N4

Additional synonyms for CHEMBL2435479 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)\C=C(/C#N)\c1cc([nH]n1)c2ccc(C)cc2
Standard InChI InChI=1S/C15H16N4/c1-11-4-6-12(7-5-11)14-8-15(18-17-14)13(9- ...
Download InChI
Standard InChI Key QXQPWPCSFNZDEU-JLHYYAGUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2435479

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
252.3 252.1375 2.81 3 55.71 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.04 3.29 3.29 2 19 0.85

Structural Alerts

There are 2 structural alerts for CHEMBL2435479. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QXQPWPCSFNZDEU-JLHYYAGUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2435479



PubChem 72375101
ZINC ZINC000096934914

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