General Information of the Compound
| Compound ID |
CP0281897
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| Compound Name |
N-methyl-N-[4-(1,1,1-trifluoro-2-hydroxy-4-phenylbut-3-yn-2-yl)phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C23H18F3NO3S
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| Molecular Weight |
445.462
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| Canonical SMILES |
CN(c1ccc(cc1)C(O)(C#Cc1ccccc1)C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C23H18F3NO3S/c1-27(31(29,30)21-10-6-3-7-11-21)20-14-12-19(13-15-20)22(28,23(24,25)26)17-16-18-8-4-2-5-9-18/h2-15,28H,1H3
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| InChIKey |
DHNCBPDODFIQEF-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