E55888   Click here for help

GtoPdb Ligand ID: 3929

Synonyms: E 55888 | E-55888
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 21.06
Molecular weight 257.19
XLogP 2.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCc1cccc(c1)c1c(C)nn(c1C)C)C
Isomeric SMILES CN(CCc1cccc(c1)c1c(C)nn(c1C)C)C
InChI InChI=1S/C16H23N3/c1-12-16(13(2)19(5)17-12)15-8-6-7-14(11-15)9-10-18(3)4/h6-8,11H,9-10H2,1-5H3
InChI Key MFUWRMRKXKCSPL-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N,N-dimethyl-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)phenethylamine
Synonyms Click here for help
E 55888 | E-55888
Database Links Click here for help
GtoPdb PubChem SID 178100758
PubChem CID 24825775
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Wikipedia E-55888