General Information of the Compound
| Compound ID |
CP0405028
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| Compound Name |
3-[4-(2,2-Dibromo-vinyl)-phenyl]-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
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| Structure |
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| Formula |
C17H19Br2NO2
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| Molecular Weight |
429.152
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| Canonical SMILES |
COC(=O)C1C2CCC(CC1c1ccc(C=C(Br)Br)cc1)N2
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| InChI |
InChI=1S/C17H19Br2NO2/c1-22-17(21)16-13(9-12-6-7-14(16)20-12)11-4-2-10(3-5-11)8-15(18)19/h2-5,8,12-14,16,20H,6-7,9H2,1H3
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| InChIKey |
AEYFRZGFXCIRPL-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter