General Information of the Compound
| Compound ID |
CP0341416
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| Compound Name |
N-[[1-(2-benzhydryloxyethyl)piperidin-3-yl]methyl]-2-(4-fluorophenyl)ethanamine
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| Structure |
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| Formula |
C29H35FN2O
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| Molecular Weight |
446.61
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| Canonical SMILES |
Fc1ccc(CCNCC2CCCN(CCOC(c3ccccc3)c3ccccc3)C2)cc1
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| InChI |
InChI=1S/C29H35FN2O/c30-28-15-13-24(14-16-28)17-18-31-22-25-8-7-19-32(23-25)20-21-33-29(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-6,9-16,25,29,31H,7-8,17-23H2
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| InChIKey |
FECMCOWJDSNXAS-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