General Information of the Compound
| Compound ID |
CP0396965
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| Compound Name |
3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine
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| Structure |
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| Formula |
C17H19ClN2O
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| Molecular Weight |
302.805
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| Canonical SMILES |
Clc1ccccc1OC(C1CCNCC1)c1cccnc1
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| InChI |
InChI=1S/C17H19ClN2O/c18-15-5-1-2-6-16(15)21-17(13-7-10-19-11-8-13)14-4-3-9-20-12-14/h1-6,9,12-13,17,19H,7-8,10-11H2
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| InChIKey |
RFKSUPOWTRFCKG-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