General Information of the Compound
| Compound ID |
CP0532034
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| Compound Name |
butyl 3-(2-butoxy-2-oxoethyl)-1,1-dioxo-2-[4-(trifluoromethyl)benzoyl]-3H-1,2-benzothiazole-7-carboxylate
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| Formula |
C26H28F3NO7S
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| Molecular Weight |
555.571
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| Canonical SMILES |
CCCCOC(=O)CC1N(C(=O)c2ccc(cc2)C(F)(F)F)S(=O)(=O)c2c1cccc2C(=O)OCCCC
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| InChI |
InChI=1S/C26H28F3NO7S/c1-3-5-14-36-22(31)16-21-19-8-7-9-20(25(33)37-15-6-4-2)23(19)38(34,35)30(21)24(32)17-10-12-18(13-11-17)26(27,28)29/h7-13,21H,3-6,14-16H2,1-2H3
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| InChIKey |
LEJCUFNJDQUGLM-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