General Information of the Compound
| Compound ID |
CP0521683
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| Compound Name |
N-[[4-tert-butyl-2-(2,2-dimethylpropoxy)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C26H37FN2O4S
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| Molecular Weight |
492.657
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1OCC(C)(C)C)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C26H37FN2O4S/c1-17(18-10-12-22(21(27)13-18)29-34(8,31)32)24(30)28-15-19-9-11-20(26(5,6)7)14-23(19)33-16-25(2,3)4/h9-14,17,29H,15-16H2,1-8H3,(H,28,30)
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| InChIKey |
LLITYEHZRBTZES-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