General Information of the Compound
| Compound ID |
CP0493748
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| Compound Name |
N-[[2-[3-(dimethylamino)propylsulfanyl]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C22H28F4N4O3S2
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| Molecular Weight |
536.617
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1SCCCN(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C22H28F4N4O3S2/c1-14(15-6-8-18(17(23)12-15)29-35(4,32)33)20(31)27-13-16-7-9-19(22(24,25)26)28-21(16)34-11-5-10-30(2)3/h6-9,12,14,29H,5,10-11,13H2,1-4H3,(H,27,31)
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| InChIKey |
QXSFHIXVYILBJR-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