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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL353728
CHEMBL353728
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H20N2

Additional synonyms for CHEMBL353728 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)N(C)CCc1c[nH]c2ccccc12
Standard InChI InChI=1S/C14H20N2/c1-11(2)16(3)9-8-12-10-15-14-7-5-4-6-13(12 ...
Download InChI
Standard InChI Key KTQJVAJLJZIKKD-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL353728

Alternate Forms of Compound in ChEMBL


CHEMBL353728

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
216.3 216.1626 3.24 4 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
- 9.9 3.44 1.05 2 16 0.83

Compound Cross References

ChemSpider ChemSpider:KTQJVAJLJZIKKD-UHFFFAOYSA-N
Wikipedia Methylisopropyltryptamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL353728



PubChem 29935323

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