General Information of the Compound
| Compound ID |
CP0487275
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| Compound Name |
N-[[2-(4-tert-butylphenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C28H30F4N2O3S
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| Molecular Weight |
550.618
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1-c1ccc(cc1)C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C28H30F4N2O3S/c1-17(19-9-13-25(24(29)14-19)34-38(5,36)37)26(35)33-16-20-8-12-22(28(30,31)32)15-23(20)18-6-10-21(11-7-18)27(2,3)4/h6-15,17,34H,16H2,1-5H3,(H,33,35)
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| InChIKey |
YJDKAHLIBWOLRQ-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