General Information of the Compound
| Compound ID |
CP0457464
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| Compound Name |
4-[(2,3-dichlorophenoxy)-piperidin-4-ylmethyl]pyridine
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| Structure |
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| Formula |
C17H18Cl2N2O
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| Molecular Weight |
337.25
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| Canonical SMILES |
Clc1cccc(OC(C2CCNCC2)c2ccncc2)c1Cl
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| InChI |
InChI=1S/C17H18Cl2N2O/c18-14-2-1-3-15(16(14)19)22-17(12-4-8-20-9-5-12)13-6-10-21-11-7-13/h1-5,8-9,13,17,21H,6-7,10-11H2
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| InChIKey |
MGXQLLRKRSAUPY-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