General Information of the Compound
| Compound ID |
CP0487884
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| Compound Name |
butyl 2-[2-(4-cyanobenzoyl)-7-methyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]acetate
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| Formula |
C22H22N2O5S
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| Molecular Weight |
426.494
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| Canonical SMILES |
CCCCOC(=O)CC1N(C(=O)c2ccc(cc2)C#N)S(=O)(=O)c2c1cccc2C
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| InChI |
InChI=1S/C22H22N2O5S/c1-3-4-12-29-20(25)13-19-18-7-5-6-15(2)21(18)30(27,28)24(19)22(26)17-10-8-16(14-23)9-11-17/h5-11,19H,3-4,12-13H2,1-2H3
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| InChIKey |
CFVNEAXFEGZPHX-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