General Information of the Compound
| Compound ID |
CP0387622
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| Compound Name |
2-[(2,3-dichlorophenoxy)-piperidin-4-ylmethyl]-5-methylpyridine
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| Structure |
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| Formula |
C18H20Cl2N2O
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| Molecular Weight |
351.277
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| Canonical SMILES |
Cc1ccc(nc1)C(Oc1cccc(Cl)c1Cl)C1CCNCC1
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| InChI |
InChI=1S/C18H20Cl2N2O/c1-12-5-6-15(22-11-12)18(13-7-9-21-10-8-13)23-16-4-2-3-14(19)17(16)20/h2-6,11,13,18,21H,7-10H2,1H3
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| InChIKey |
OWUWJHDPUJMAGB-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