General Information of the Compound
| Compound ID |
CP0412979
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| Compound Name |
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C24H18F7NO4S
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| Molecular Weight |
549.464
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| Canonical SMILES |
CS(=O)(=O)c1ccc(CC(=O)Nc2ccc(cc2)-c2ccc(cc2F)C(O)(C(F)(F)F)C(F)(F)F)cc1
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| InChI |
InChI=1S/C24H18F7NO4S/c1-37(35,36)18-9-2-14(3-10-18)12-21(33)32-17-7-4-15(5-8-17)19-11-6-16(13-20(19)25)22(34,23(26,27)28)24(29,30)31/h2-11,13,34H,12H2,1H3,(H,32,33)
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| InChIKey |
WNWGNEFBMPLDGY-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