General Information of the Compound
| Compound ID |
CP0472934
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| Compound Name |
N-[(4-hydroxyphenyl)methyl]-2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetamide
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| Structure |
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| Formula |
C23H21F3N2O4S
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| Molecular Weight |
478.492
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc1ccc(O)cc1)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H21F3N2O4S/c1-16-5-11-21(12-6-16)33(31,32)28(19-4-2-3-18(13-19)23(24,25)26)15-22(30)27-14-17-7-9-20(29)10-8-17/h2-13,29H,14-15H2,1H3,(H,27,30)
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| InChIKey |
KXCCILLTDQWPGU-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