General Information of the Compound
| Compound ID |
CP0517278
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| Compound Name |
MLS-0412147.0001
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| Structure |
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| Formula |
C20H24N2OS
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| Molecular Weight |
340.492
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| Canonical SMILES |
CSc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1
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| InChI |
InChI=1S/C20H24N2OS/c1-24-19-11-9-18(10-12-19)21-20(23)17-7-5-16(6-8-17)15-22-13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,21,23)
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| InChIKey |
SQIATBGLCFPZAX-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