General Information of the Compound
| Compound ID |
CP0566545
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| Compound Name |
N-[[6-tert-butyl-2-[(4-chlorophenyl)methylsulfanyl]pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C27H31ClFN3O3S2
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| Molecular Weight |
564.148
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1SCc1ccc(Cl)cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C27H31ClFN3O3S2/c1-17(19-8-12-23(22(29)14-19)32-37(5,34)35)25(33)30-15-20-9-13-24(27(2,3)4)31-26(20)36-16-18-6-10-21(28)11-7-18/h6-14,17,32H,15-16H2,1-5H3,(H,30,33)
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| InChIKey |
GXYGRBYCYIXMKQ-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