General Information of the Compound
| Compound ID |
CP0423077
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| Compound Name |
methyl 2-[7-methyl-1,1-dioxo-2-[4-(trifluoromethyl)benzoyl]-3H-1,2-benzothiazol-3-yl]acetate
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| Formula |
C19H16F3NO5S
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| Molecular Weight |
427.4
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| Canonical SMILES |
COC(=O)CC1N(C(=O)c2ccc(cc2)C(F)(F)F)S(=O)(=O)c2c1cccc2C
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| InChI |
InChI=1S/C19H16F3NO5S/c1-11-4-3-5-14-15(10-16(24)28-2)23(29(26,27)17(11)14)18(25)12-6-8-13(9-7-12)19(20,21)22/h3-9,15H,10H2,1-2H3
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| InChIKey |
XCRJLWWBCWZZFK-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