General Information of the Compound
| Compound ID |
CP0409013
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| Compound Name |
(2R)-N-[(6-tert-butyl-2-cyclohexylsulfanylpyridin-3-yl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C26H36FN3O3S2
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| Molecular Weight |
521.724
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| Canonical SMILES |
C[C@@H](C(=O)NCc1ccc(nc1SC1CCCCC1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C26H36FN3O3S2/c1-17(18-11-13-22(21(27)15-18)30-35(5,32)33)24(31)28-16-19-12-14-23(26(2,3)4)29-25(19)34-20-9-7-6-8-10-20/h11-15,17,20,30H,6-10,16H2,1-5H3,(H,28,31)/t17-/m1/s1
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| InChIKey |
VPTGWYIHBLFZBJ-QGZVFWFLSA-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