General Information of the Compound
| Compound ID |
CP0472763
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| Compound Name |
N-[[6-tert-butyl-2-[(4-methoxyphenyl)methylsulfanyl]pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C28H34FN3O4S2
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| Molecular Weight |
559.729
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| Canonical SMILES |
COc1ccc(CSc2nc(ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C28H34FN3O4S2/c1-18(20-9-13-24(23(29)15-20)32-38(6,34)35)26(33)30-16-21-10-14-25(28(2,3)4)31-27(21)37-17-19-7-11-22(36-5)12-8-19/h7-15,18,32H,16-17H2,1-6H3,(H,30,33)
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| InChIKey |
HLZBGRSZQLTREE-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