General Information of the Compound
| Compound ID |
CP0391740
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| Compound Name |
1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(2,4-dichlorophenyl)piperazine
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| Structure |
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| Formula |
C24H31Cl2N3
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| Molecular Weight |
432.439
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| Canonical SMILES |
Clc1ccc(N2CCN(CCN3CCC(Cc4ccccc4)CC3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C24H31Cl2N3/c25-22-6-7-24(23(26)19-22)29-16-14-28(15-17-29)13-12-27-10-8-21(9-11-27)18-20-4-2-1-3-5-20/h1-7,19,21H,8-18H2
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| InChIKey |
MTKDKDCUGVFMTR-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