General Information of the Compound
| Compound ID |
CP0508240
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| Compound Name |
N-[[2-(3,5-dimethoxyphenyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C25H25F4N3O5S
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| Molecular Weight |
555.55
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| Canonical SMILES |
COc1cc(OC)cc(c1)-c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C25H25F4N3O5S/c1-14(15-5-7-21(20(26)11-15)32-38(4,34)35)24(33)30-13-16-6-8-22(25(27,28)29)31-23(16)17-9-18(36-2)12-19(10-17)37-3/h5-12,14,32H,13H2,1-4H3,(H,30,33)
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| InChIKey |
FXQXTJOLQTVXEB-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