General Information of the Compound
| Compound ID |
CP0374758
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| Compound Name |
N-[[2-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C26H26F4N2O5S
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| Molecular Weight |
554.562
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| Canonical SMILES |
COc1ccc(cc1OC)-c1cc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C26H26F4N2O5S/c1-15(16-6-9-22(21(27)11-16)32-38(4,34)35)25(33)31-14-18-5-8-19(26(28,29)30)13-20(18)17-7-10-23(36-2)24(12-17)37-3/h5-13,15,32H,14H2,1-4H3,(H,31,33)
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| InChIKey |
DPYMWVVXXCEURD-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