General Information of the Compound
| Compound ID |
CP0478986
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| Compound Name |
tert-butyl 2-[7-methyl-1,1-dioxo-2-[4-(trifluoromethyl)benzoyl]-3H-1,2-benzothiazol-3-yl]acetate
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| Formula |
C22H22F3NO5S
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| Molecular Weight |
469.481
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| Canonical SMILES |
Cc1cccc2C(CC(=O)OC(C)(C)C)N(C(=O)c3ccc(cc3)C(F)(F)F)S(=O)(=O)c12
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| InChI |
InChI=1S/C22H22F3NO5S/c1-13-6-5-7-16-17(12-18(27)31-21(2,3)4)26(32(29,30)19(13)16)20(28)14-8-10-15(11-9-14)22(23,24)25/h5-11,17H,12H2,1-4H3
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| InChIKey |
JAGVFUBZGPNSRF-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