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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL142049
CHEMBL142049
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C9H14N2

Additional synonyms for CHEMBL142049 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCc1cccnc1
Standard InChI InChI=1S/C9H14N2/c1-11(2)7-5-9-4-3-6-10-8-9/h3-4,6,8H,5,7H2, ...
Download InChI
Standard InChI Key DZOSVKUXMNMXTK-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL142049

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
150.2 150.1157 1.19 3 16.13 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.08 .63 -1.35 1 11 0.64

Structural Alerts

There are no structural alerts for CHEMBL142049

Compound Cross References

ChemSpider ChemSpider:DZOSVKUXMNMXTK-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL142049



BindingDB 50119572
EPA CompTox Dashboard DTXSID50879586
IBM Patent System 8CA15694753749BC671E0DC991D9F477
Nikkaji J1.098.348G
PubChem 4401657
PubChem: Thomson Pharma 15388546
SureChEMBL SCHEMBL8363021

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