General Information of the Compound
| Compound ID |
CP0522500
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| Compound Name |
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-methylsulfanylphenyl)benzamide
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| Structure |
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| Formula |
C24H24N2OS
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| Molecular Weight |
388.536
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| Canonical SMILES |
CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
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| InChI |
InChI=1S/C24H24N2OS/c1-28-23-12-10-22(11-13-23)25-24(27)20-8-6-18(7-9-20)16-26-15-14-19-4-2-3-5-21(19)17-26/h2-13H,14-17H2,1H3,(H,25,27)
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| InChIKey |
WWBBFDGOQJQXFK-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