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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL20167
CHEMBL20167
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H18N2

Additional synonyms for CHEMBL20167 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCc1c[nH]c2c(C)cccc12
Standard InChI InChI=1S/C13H18N2/c1-10-5-4-6-12-11(7-8-15(2)3)9-14-13(10)12 ...
Download InChI
Standard InChI Key PQSFTUCFMWBITK-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL20167

Alternate Forms of Compound in ChEMBL


CHEMBL20167

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
202.3 202.147 3 3 19.03 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.53 2.43 .49 2 15 0.81

Compound Cross References

ChemSpider ChemSpider:PQSFTUCFMWBITK-UHFFFAOYSA-N
Wikipedia 7,N,N-TMT

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL20167



ACToR 65882-39-5
PubChem 47747

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