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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL343099
CHEMBL343099
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H15N3

Additional synonyms for CHEMBL343099 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C1=NCCN1C)c2cccnc2
Standard InChI InChI=1S/C11H15N3/c1-9(10-4-3-5-12-8-10)11-13-6-7-14(11)2/h3 ...
Download InChI
Standard InChI Key AOLPFQDXJZKQPY-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL343099

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
189.3 189.1266 1.53 2 28.49 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
- 10.84 1.29 -.7 1 14 0.71

Structural Alerts

There are no structural alerts for CHEMBL343099

Compound Cross References

ChemSpider ChemSpider:AOLPFQDXJZKQPY-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL343099



PubChem 11052424
PubChem: Thomson Pharma 16118654

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