General Information of the Compound
| Compound ID |
CP0413539
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-methyl-2-(4-methylpiperidin-1-yl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C23H31FN4O3S
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| Molecular Weight |
462.591
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| Canonical SMILES |
CC(C(=O)NCc1ccc(C)nc1N1CCC(C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C23H31FN4O3S/c1-15-9-11-28(12-10-15)22-19(6-5-16(2)26-22)14-25-23(29)17(3)18-7-8-21(20(24)13-18)27-32(4,30)31/h5-8,13,15,17,27H,9-12,14H2,1-4H3,(H,25,29)
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| InChIKey |
HKTGAGXOSDTCRV-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