General Information of the Compound
| Compound ID |
CP0519294
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| Compound Name |
N-[(4-tert-butyl-2-phenylmethoxyphenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C28H33FN2O4S
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| Molecular Weight |
512.647
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1OCc1ccccc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C28H33FN2O4S/c1-19(21-12-14-25(24(29)15-21)31-36(5,33)34)27(32)30-17-22-11-13-23(28(2,3)4)16-26(22)35-18-20-9-7-6-8-10-20/h6-16,19,31H,17-18H2,1-5H3,(H,30,32)
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| InChIKey |
MOYYRJBPAIJBEQ-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