General Information of the Compound
| Compound ID |
CP0487893
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| Compound Name |
butyl 2-[6-chloro-7-methyl-1,1-dioxo-2-[4-(trifluoromethyl)benzoyl]-3H-1,2-benzothiazol-3-yl]acetate
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| Formula |
C22H21ClF3NO5S
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| Molecular Weight |
503.926
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| Canonical SMILES |
CCCCOC(=O)CC1N(C(=O)c2ccc(cc2)C(F)(F)F)S(=O)(=O)c2c1ccc(Cl)c2C
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| InChI |
InChI=1S/C22H21ClF3NO5S/c1-3-4-11-32-19(28)12-18-16-9-10-17(23)13(2)20(16)33(30,31)27(18)21(29)14-5-7-15(8-6-14)22(24,25)26/h5-10,18H,3-4,11-12H2,1-2H3
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| InChIKey |
VPICFOPHFKLTCU-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
Protein ID: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2