General Information of the Compound
| Compound ID |
CP0236922
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| Compound Name |
N-[4-[4-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoro-2-hydroxybut-3-yn-2-yl]phenyl]-3-cyano-N-(2-methylpropyl)benzenesulfonamide
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| Structure |
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| Formula |
C33H27F3N2O5S2
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| Molecular Weight |
652.716
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| Canonical SMILES |
CC(C)CN(c1ccc(cc1)C(O)(C#Cc1ccc(cc1)S(=O)(=O)c1ccccc1)C(F)(F)F)S(=O)(=O)c1cccc(c1)C#N
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| InChI |
InChI=1S/C33H27F3N2O5S2/c1-24(2)23-38(45(42,43)31-10-6-7-26(21-31)22-37)28-15-13-27(14-16-28)32(39,33(34,35)36)20-19-25-11-17-30(18-12-25)44(40,41)29-8-4-3-5-9-29/h3-18,21,24,39H,23H2,1-2H3
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| InChIKey |
WFJUHKZIXXAQEK-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