General Information of the Compound
| Compound ID |
CP0554582
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(E)-pent-1-enyl]-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C22H25F4N3O3S
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| Molecular Weight |
487.519
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| Canonical SMILES |
CCC\C=C\c1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C22H25F4N3O3S/c1-4-5-6-7-18-16(9-11-20(28-18)22(24,25)26)13-27-21(30)14(2)15-8-10-19(17(23)12-15)29-33(3,31)32/h6-12,14,29H,4-5,13H2,1-3H3,(H,27,30)/b7-6+
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| InChIKey |
HKMRGOQXTJLSIF-VOTSOKGWSA-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