General Information of the Compound
| Compound ID |
CP0418677
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| Compound Name |
butyl 2-[2-(4-chlorobenzoyl)-7-methyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl]acetate
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| Formula |
C21H22ClNO5S
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| Molecular Weight |
435.929
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| Canonical SMILES |
CCCCOC(=O)CC1N(C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2c1cccc2C
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| InChI |
InChI=1S/C21H22ClNO5S/c1-3-4-12-28-19(24)13-18-17-7-5-6-14(2)20(17)29(26,27)23(18)21(25)15-8-10-16(22)11-9-15/h5-11,18H,3-4,12-13H2,1-2H3
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| InChIKey |
QLWZFWPTQXIORK-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