General Information of the Compound
| Compound ID |
CP0093218
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| Compound Name |
3-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazol-4-yl)methoxy)-2-(trifluoromethyl)pyridin-3-yl)(methyl)amino)methyl)-N-(methylsulfonyl)benzamide
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| Structure |
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| Formula |
C29H27Cl2F3N4O5S
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| Molecular Weight |
671.525
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| Canonical SMILES |
CC(C)c1onc(c1COc1ccc(N(C)Cc2cccc(c2)C(=O)NS(C)(=O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C29H27Cl2F3N4O5S/c1-16(2)26-19(25(36-43-26)24-20(30)9-6-10-21(24)31)15-42-23-12-11-22(27(35-23)29(32,33)34)38(3)14-17-7-5-8-18(13-17)28(39)37-44(4,40)41/h5-13,16H,14-15H2,1-4H3,(H,37,39)
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| InChIKey |
FYVPQNLTBVNVBL-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