General Information of the Compound
| Compound ID |
CP0517541
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| Compound Name |
4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]amino]benzenesulfonic acid
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| Structure |
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| Formula |
C23H22N2O4S
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| Molecular Weight |
422.506
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| Canonical SMILES |
OS(=O)(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1
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| InChI |
InChI=1S/C23H22N2O4S/c26-23(24-21-9-11-22(12-10-21)30(27,28)29)19-7-5-17(6-8-19)15-25-14-13-18-3-1-2-4-20(18)16-25/h1-12H,13-16H2,(H,24,26)(H,27,28,29)
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| InChIKey |
YIPZYDFQDUYJAT-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