General Information of the Compound
| Compound ID |
CP0475247
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| Compound Name |
5-[[(R)-[(R)-(4-bromophenyl)-phenylmethyl]sulfinyl]methyl]-1,3-thiazole
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| Structure |
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| Formula |
C17H14BrNOS2
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| Molecular Weight |
392.343
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| Canonical SMILES |
[O-][S@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m1/s1
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| InChIKey |
WTQVZZYEGQKTRU-VGOFRKELSA-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