General Information of the Compound
| Compound ID |
CP0563984
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| Compound Name |
2-[4-(ethylsulfonylamino)-3-fluorophenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C24H30F4N4O3S
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| Molecular Weight |
530.588
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| Canonical SMILES |
CCS(=O)(=O)Nc1ccc(cc1F)C(C)C(=O)NCc1ccc(nc1N1CCC(C)CC1)C(F)(F)F
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| InChI |
InChI=1S/C24H30F4N4O3S/c1-4-36(34,35)31-20-7-5-17(13-19(20)25)16(3)23(33)29-14-18-6-8-21(24(26,27)28)30-22(18)32-11-9-15(2)10-12-32/h5-8,13,15-16,31H,4,9-12,14H2,1-3H3,(H,29,33)
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| InChIKey |
LPXVKDGIPODBRU-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