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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2425913
CHEMBL2425913
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H17N3

Additional synonyms for CHEMBL2425913 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(c1ccc(C)cc1)c2ncnc3CCCc23
Standard InChI InChI=1S/C15H17N3/c1-11-6-8-12(9-7-11)18(2)15-13-4-3-5-14(13 ...
Download InChI
Standard InChI Key SKLPKJLIBLYWKD-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2425913

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
239.3 239.1422 3.04 2 29.02 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 6.45 2.93 2.92 2 18 0.81

Structural Alerts

There are no structural alerts for CHEMBL2425913

Compound Cross References

ChemSpider ChemSpider:SKLPKJLIBLYWKD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2425913



PubChem 73294296
ZINC ZINC000096934238

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