General Information of the Compound
| Compound ID |
CP0566067
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| Compound Name |
N-[[6-tert-butyl-2-(3-methylbutoxy)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C25H36FN3O4S
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| Molecular Weight |
493.645
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| Canonical SMILES |
CC(C)CCOc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(C)(C)C
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| InChI |
InChI=1S/C25H36FN3O4S/c1-16(2)12-13-33-24-19(9-11-22(28-24)25(4,5)6)15-27-23(30)17(3)18-8-10-21(20(26)14-18)29-34(7,31)32/h8-11,14,16-17,29H,12-13,15H2,1-7H3,(H,27,30)
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| InChIKey |
JFZKGMUVUKSFES-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