General Information of the Compound
| Compound ID |
CP0449406
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| Compound Name |
Benzhydryl-{2-[1-(4-fluoro-benzyl)-piperidin-4-yl]-ethyl}-amine
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| Structure |
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| Formula |
C27H31FN2
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| Molecular Weight |
402.557
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| Canonical SMILES |
Fc1ccc(CN2CCC(CCNC(c3ccccc3)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C27H31FN2/c28-26-13-11-23(12-14-26)21-30-19-16-22(17-20-30)15-18-29-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27,29H,15-21H2
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| InChIKey |
QWEUHAMEWHLOTG-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: PT00871, Sodium-dependent serotonin transporter