General Information of the Compound
| Compound ID |
CP0345296
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| Compound Name |
4-[1-(3-chlorophenyl)-2-methoxyethyl]piperidine;hydrochloride
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| Structure |
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| Formula |
C14H21Cl2NO
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| Molecular Weight |
290.234
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| Canonical SMILES |
Cl.COCC(C1CCNCC1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C14H20ClNO.ClH/c1-17-10-14(11-5-7-16-8-6-11)12-3-2-4-13(15)9-12;/h2-4,9,11,14,16H,5-8,10H2,1H3;1H
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| InChIKey |
HJKCBQAEYYPLHW-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter