General Information of the Compound
| Compound ID |
CP0563956
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| Compound Name |
butyl 2-[5,7-dimethyl-1,1-dioxo-2-[4-(trifluoromethyl)benzoyl]-3H-1,2-benzothiazol-3-yl]acetate
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| Formula |
C23H24F3NO5S
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| Molecular Weight |
483.508
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| Canonical SMILES |
CCCCOC(=O)CC1N(C(=O)c2ccc(cc2)C(F)(F)F)S(=O)(=O)c2c1cc(C)cc2C
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| InChI |
InChI=1S/C23H24F3NO5S/c1-4-5-10-32-20(28)13-19-18-12-14(2)11-15(3)21(18)33(30,31)27(19)22(29)16-6-8-17(9-7-16)23(24,25)26/h6-9,11-12,19H,4-5,10,13H2,1-3H3
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| InChIKey |
OEZVKLHHUVAVOP-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