General Information of the Compound
| Compound ID |
CP0457466
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| Compound Name |
2-[(2,3-dichlorophenoxy)-piperidin-4-ylmethyl]-3-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 |
Cc1cccnc1C(Oc1cccc(Cl)c1Cl)C1CCNCC1
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| InChI |
InChI=1S/C18H20Cl2N2O/c1-12-4-3-9-22-17(12)18(13-7-10-21-11-8-13)23-15-6-2-5-14(19)16(15)20/h2-6,9,13,18,21H,7-8,10-11H2,1H3
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| InChIKey |
ICZPNJDXXLLJEO-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter