General Information of the Compound
| Compound ID |
CP0552365
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methoxyphenyl)methylsulfanyl]-4-(trifluoromethyl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C26H26F4N2O4S2
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| Molecular Weight |
570.63
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| Canonical SMILES |
COc1ccc(CSc2cc(ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C26H26F4N2O4S2/c1-16(18-7-11-23(22(27)12-18)32-38(3,34)35)25(33)31-14-19-6-8-20(26(28,29)30)13-24(19)37-15-17-4-9-21(36-2)10-5-17/h4-13,16,32H,14-15H2,1-3H3,(H,31,33)
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| InChIKey |
FAUNQVXIAOSZHP-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