General Information of the Compound
| Compound ID |
CP0236920
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| Compound Name |
N-(2-methylpropyl)-N-[4-[1,1,1-trifluoro-2-hydroxy-4-(3-methoxyphenyl)but-3-yn-2-yl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C27H26F3NO4S
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| Molecular Weight |
517.569
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| Canonical SMILES |
COc1cccc(c1)C#CC(O)(c1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C27H26F3NO4S/c1-20(2)19-31(36(33,34)25-10-5-4-6-11-25)23-14-12-22(13-15-23)26(32,27(28,29)30)17-16-21-8-7-9-24(18-21)35-3/h4-15,18,20,32H,19H2,1-3H3
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| InChIKey |
WGCDCIPOZNKVON-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