General Information of the Compound
| Compound ID |
CP0398450
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| Compound Name |
(5-bromo-2-(4-(trifluoromethyl)phenoxy)phenyl)-N,N-dimethylmethanamine
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| Structure |
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| Formula |
C16H15BrF3NO
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| Molecular Weight |
374.2
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| Canonical SMILES |
CN(C)Cc1cc(Br)ccc1Oc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C16H15BrF3NO/c1-21(2)10-11-9-13(17)5-8-15(11)22-14-6-3-12(4-7-14)16(18,19)20/h3-9H,10H2,1-2H3
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| InChIKey |
UNSWDCIYZPOJLJ-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