General Information of the Compound
| Compound ID |
CP0428292
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| Compound Name |
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2,3-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 |
Clc1cccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)c1Cl
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| InChI |
InChI=1S/C25H33Cl2N3/c26-23-8-4-9-24(25(23)27)30-18-16-29(17-19-30)13-5-12-28-14-10-22(11-15-28)20-21-6-2-1-3-7-21/h1-4,6-9,22H,5,10-20H2
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| InChIKey |
FALRZIKASODFLN-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