General Information of the Compound
| Compound ID |
CP0414873
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| Compound Name |
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,4-dichlorophenyl)piperazine
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| Structure |
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| Formula |
C25H33Cl2N3
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| Molecular Weight |
446.466
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| Canonical SMILES |
Clc1ccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C25H33Cl2N3/c26-23-7-8-25(24(27)20-23)30-17-15-29(16-18-30)12-4-11-28-13-9-22(10-14-28)19-21-5-2-1-3-6-21/h1-3,5-8,20,22H,4,9-19H2
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| InChIKey |
CLIDDXAQANIXOT-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