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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65302
CHEMBL65302
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H17N3

Additional synonyms for CHEMBL65302 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCN1C=Nc2cccc3cccc1c23
Standard InChI InChI=1S/C15H17N3/c1-17(2)9-10-18-11-16-13-7-3-5-12-6-4-8-14 ...
Download InChI
Standard InChI Key LZMXFFMCRQHXJI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL65302

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 2.13 3 18.84 BASE


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
- 8.82 2.01 -.59 2 18 0.82

Structural Alerts

There are 1 structural alerts for CHEMBL65302. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LZMXFFMCRQHXJI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65302



PubChem 44305906
ZINC ZINC000026182218

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