General Information of the Compound
| Compound ID |
CP0475244
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| Compound Name |
5-[[(S)-[(R)-phenyl-[4-(trifluoromethyl)phenyl]methyl]sulfinyl]methyl]-1,3-thiazole
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| Structure |
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| Formula |
C18H14F3NOS2
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| Molecular Weight |
381.444
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| Canonical SMILES |
[O-][S@@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H14F3NOS2/c19-18(20,21)15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)25(23)11-16-10-22-12-24-16/h1-10,12,17H,11H2/t17-,25+/m1/s1
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| InChIKey |
IUDOPBSTTFNRNC-NSYGIPOTSA-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