General Information of the Compound
| Compound ID |
CP0127413
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| Compound Name |
3-cyano-N-(2-methylpropyl)-N-[4-[1,1,1-trifluoro-2-hydroxy-4-(4-methylsulfonylphenyl)but-3-yn-2-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C28H25F3N2O5S2
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| Molecular Weight |
590.645
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| Canonical SMILES |
CC(C)CN(c1ccc(cc1)C(O)(C#Cc1ccc(cc1)S(C)(=O)=O)C(F)(F)F)S(=O)(=O)c1cccc(c1)C#N
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| InChI |
InChI=1S/C28H25F3N2O5S2/c1-20(2)19-33(40(37,38)26-6-4-5-22(17-26)18-32)24-11-9-23(10-12-24)27(34,28(29,30)31)16-15-21-7-13-25(14-8-21)39(3,35)36/h4-14,17,20,34H,19H2,1-3H3
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| InChIKey |
MFQZKIZCIAGJJR-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