General Information of the Compound
| Compound ID |
CP0521873
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| Compound Name |
N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C21H12F9NO2
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| Molecular Weight |
481.314
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| Canonical SMILES |
OC(c1ccc2ccccc2c1NC(=O)c1ccc(cc1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C21H12F9NO2/c22-19(23,24)13-8-5-12(6-9-13)17(32)31-16-14-4-2-1-3-11(14)7-10-15(16)18(33,20(25,26)27)21(28,29)30/h1-10,33H,(H,31,32)
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| InChIKey |
OKTZRFZBROBTEJ-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