General Information of the Compound
| Compound ID |
CP0481352
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(3-fluoro-4-methoxyphenyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C24H22F5N3O4S
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| Molecular Weight |
543.514
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| Canonical SMILES |
COc1ccc(cc1F)-c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C24H22F5N3O4S/c1-13(14-4-7-19(17(25)10-14)32-37(3,34)35)23(33)30-12-16-6-9-21(24(27,28)29)31-22(16)15-5-8-20(36-2)18(26)11-15/h4-11,13,32H,12H2,1-3H3,(H,30,33)
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| InChIKey |
XCCVLMJETQIWTD-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