General Information of the Compound
| Compound ID |
CP0451594
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| Compound Name |
4-[2,2,2-trifluoro-1-hydroxy-1-(1,3-thiazol-4-yl)ethyl]-2-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C13H6F6N2OS
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| Molecular Weight |
352.259
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| Canonical SMILES |
OC(c1cscn1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C13H6F6N2OS/c14-12(15,16)9-3-8(2-1-7(9)4-20)11(22,13(17,18)19)10-5-23-6-21-10/h1-3,5-6,22H
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| InChIKey |
OHNKJJRAPKLCTE-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