General Information of the Compound
| Compound ID |
CP0147557
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| Compound Name |
N-[4-(1,1,1,5,5,5-hexafluoro-2-hydroxypent-3-yn-2-yl)phenyl]-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C18H13F6NO3S
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| Molecular Weight |
437.361
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| Canonical SMILES |
CN(c1ccc(cc1)C(O)(C#CC(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C18H13F6NO3S/c1-25(29(27,28)15-5-3-2-4-6-15)14-9-7-13(8-10-14)16(26,18(22,23)24)11-12-17(19,20)21/h2-10,26H,1H3
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| InChIKey |
JVONGVKVZXBCEF-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