General Information of the Compound
| Compound ID |
CP0192413
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| Compound Name |
N-[4-[1,1,1-trifluoro-2-hydroxy-4-(4-methylsulfonylphenyl)but-3-yn-2-yl]phenyl]-N-(3,3,3-trifluoropropyl)benzenesulfonamide
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| Structure |
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| Formula |
C26H21F6NO5S2
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| Molecular Weight |
605.578
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1)C#CC(O)(c1ccc(cc1)N(CCC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C26H21F6NO5S2/c1-39(35,36)22-13-7-19(8-14-22)15-16-24(34,26(30,31)32)20-9-11-21(12-10-20)33(18-17-25(27,28)29)40(37,38)23-5-3-2-4-6-23/h2-14,34H,17-18H2,1H3
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| InChIKey |
ABXFBIHMTMSADH-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