General Information of the Compound
| Compound ID |
CP0414875
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| Compound Name |
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(3-chlorophenyl)piperazine
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| Structure |
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| Formula |
C25H34ClN3
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| Molecular Weight |
412.021
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1
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| InChI |
InChI=1S/C25H34ClN3/c26-24-8-4-9-25(21-24)29-18-16-28(17-19-29)13-5-12-27-14-10-23(11-15-27)20-22-6-2-1-3-7-22/h1-4,6-9,21,23H,5,10-20H2
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| InChIKey |
SUFGHRBJEYNLIR-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