General Information of the Compound
| Compound ID |
CP0209018
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| Compound Name |
N-[[1-(2-benzhydryloxyethyl)piperidin-3-yl]methyl]-2-(4-fluorophenyl)-N-methylethanamine
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| Structure |
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| Formula |
C30H37FN2O
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| Molecular Weight |
460.637
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| Canonical SMILES |
CN(CCc1ccc(F)cc1)CC1CCCN(CCOC(c2ccccc2)c2ccccc2)C1
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| InChI |
InChI=1S/C30H37FN2O/c1-32(20-18-25-14-16-29(31)17-15-25)23-26-9-8-19-33(24-26)21-22-34-30(27-10-4-2-5-11-27)28-12-6-3-7-13-28/h2-7,10-17,26,30H,8-9,18-24H2,1H3
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| InChIKey |
XVRWPBKYLFMIHN-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