General Information of the Compound
| Compound ID |
CP0503553
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| Compound Name |
2beta-Carbo(2-fluoropropoxy)-3beta-(3'-((Z)-2-bmoroethenyl)phenyl)-nortropane
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| Structure |
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| Formula |
C19H23BrFNO2
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| Molecular Weight |
396.3
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| Canonical SMILES |
FCCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/Br)c1)N2
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| InChI |
InChI=1S/C19H23BrFNO2/c20-8-7-13-3-1-4-14(11-13)16-12-15-5-6-17(22-15)18(16)19(23)24-10-2-9-21/h1,3-4,7-8,11,15-18,22H,2,5-6,9-10,12H2/b8-7-
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| InChIKey |
VKZWZSZGPDLBNV-FPLPWBNLSA-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