General Information of the Compound
| Compound ID |
CP0409024
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| Compound Name |
1-[2-(4-benzylpiperidin-1-yl)ethyl]-4-(4-bromophenyl)piperazine
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| Structure |
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| Formula |
C24H32BrN3
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| Molecular Weight |
442.445
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| Canonical SMILES |
Brc1ccc(cc1)N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1
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| InChI |
InChI=1S/C24H32BrN3/c25-23-6-8-24(9-7-23)28-18-16-27(17-19-28)15-14-26-12-10-22(11-13-26)20-21-4-2-1-3-5-21/h1-9,22H,10-20H2
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| InChIKey |
NDEHHPQHCFLQEI-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