General Information of the Compound
| Compound ID |
CP0894678
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| Compound Name |
N-(4-methoxy-3-phenethoxyphenethyl)-N-propylpropan-1-amine hydrochloride
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| Synonyms |
Benzeneethanamine, 4-methoxy-3-(2-phenylethoxy)-N,N-dipropyl-, hydrochloride
N,N-Dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride
N,N-diethyl-2-(4-methoxy-3-phenethyloxyphenyl)ethanamine hydrochloride
NE 100
NE-100
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| Structure |
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| Formula |
C23H34ClNO2
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| Molecular Weight |
391.983
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| Canonical SMILES |
CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1.Cl
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| InChI |
InChI=1S/C23H33NO2.ClH/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20;/h6-12,19H,4-5,13-18H2,1-3H3;1H
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| InChIKey |
ZHGMDXSHODHWHV-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Clinical Information about the Compound