General Information of the Compound
| Compound ID |
CP0493746
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-(3-pyrrolidin-1-ylpropylsulfanyl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C24H30F4N4O3S2
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| Molecular Weight |
562.655
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1SCCCN1CCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C24H30F4N4O3S2/c1-16(17-6-8-20(19(25)14-17)31-37(2,34)35)22(33)29-15-18-7-9-21(24(26,27)28)30-23(18)36-13-5-12-32-10-3-4-11-32/h6-9,14,16,31H,3-5,10-13,15H2,1-2H3,(H,29,33)
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| InChIKey |
OPUZXJHPAUTJQZ-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