General Information of the Compound
| Compound ID |
CP0471623
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[3-(4-methylpiperidin-1-yl)propylsulfanyl]-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C26H34F4N4O3S2
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| Molecular Weight |
590.709
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1SCCCN1CCC(C)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C26H34F4N4O3S2/c1-17-9-12-34(13-10-17)11-4-14-38-25-20(6-8-23(32-25)26(28,29)30)16-31-24(35)18(2)19-5-7-22(21(27)15-19)33-39(3,36)37/h5-8,15,17-18,33H,4,9-14,16H2,1-3H3,(H,31,35)
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| InChIKey |
XTOCLIMUJPTPGR-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