General Information of the Compound
| Compound ID |
CP0385616
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| Compound Name |
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine
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| Structure |
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| Formula |
C26H34F3N3
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| Molecular Weight |
445.573
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
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| InChI |
InChI=1S/C26H34F3N3/c27-26(28,29)24-7-9-25(10-8-24)32-19-17-31(18-20-32)14-4-13-30-15-11-23(12-16-30)21-22-5-2-1-3-6-22/h1-3,5-10,23H,4,11-21H2
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| InChIKey |
QWBFSEHWBYCMPU-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