General Information of the Compound
| Compound ID |
CP0372384
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| Compound Name |
(5-bromo-2-(4-(methylthio)phenoxy)phenyl)-N,N-dimethylmethanamine
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| Structure |
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| Formula |
C16H18BrNOS
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| Molecular Weight |
352.297
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| Canonical SMILES |
CSc1ccc(Oc2ccc(Br)cc2CN(C)C)cc1
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| InChI |
InChI=1S/C16H18BrNOS/c1-18(2)11-12-10-13(17)4-9-16(12)19-14-5-7-15(20-3)8-6-14/h4-10H,11H2,1-3H3
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| InChIKey |
WPGUQXCZGQYNLZ-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