General Information of the Compound
| Compound ID |
CP0469088
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| Compound Name |
4-[(2-bromo-5-methoxyphenyl)methyl]-1-[2-(2-chlorophenyl)ethyl]piperidine
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| Structure |
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| Formula |
C21H25BrClNO
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| Molecular Weight |
422.794
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| Canonical SMILES |
COc1ccc(Br)c(CC2CCN(CCc3ccccc3Cl)CC2)c1
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| InChI |
InChI=1S/C21H25BrClNO/c1-25-19-6-7-20(22)18(15-19)14-16-8-11-24(12-9-16)13-10-17-4-2-3-5-21(17)23/h2-7,15-16H,8-14H2,1H3
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| InChIKey |
BFEUCMOJXSMTKZ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00871, Sodium-dependent serotonin transporter