General Information of the Compound
| Compound ID |
CP0415860
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| Compound Name |
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-methylsulfanylphenyl)benzamide
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| Structure |
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| Formula |
C23H22N2OS
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| Molecular Weight |
374.509
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| Canonical SMILES |
CSc1ccc(NC(=O)c2ccc(CN3CCc4ccccc34)cc2)cc1
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| InChI |
InChI=1S/C23H22N2OS/c1-27-21-12-10-20(11-13-21)24-23(26)19-8-6-17(7-9-19)16-25-15-14-18-4-2-3-5-22(18)25/h2-13H,14-16H2,1H3,(H,24,26)
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| InChIKey |
YAQIKKBIALNQMC-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