General Information of the Compound
| Compound ID |
CP0147559
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| Compound Name |
N-[4-[4-(4-ethoxyphenyl)-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl]phenyl]-N-(2-methylpropyl)benzenesulfonamide
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| Structure |
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| Formula |
C28H28F3NO4S
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| Molecular Weight |
531.596
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| Canonical SMILES |
CCOc1ccc(cc1)C#CC(O)(c1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C28H28F3NO4S/c1-4-36-25-16-10-22(11-17-25)18-19-27(33,28(29,30)31)23-12-14-24(15-13-23)32(20-21(2)3)37(34,35)26-8-6-5-7-9-26/h5-17,21,33H,4,20H2,1-3H3
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| InChIKey |
GUGYXTSGMDPJSE-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