General Information of the Compound
| Compound ID |
CP0422149
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| Compound Name |
2-[2-[2-[benzenesulfonyl(methyl)amino]ethyl]benzimidazol-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
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| Formula |
C27H28N4O3S
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| Molecular Weight |
488.613
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| Canonical SMILES |
CN(CCc1nc2ccccc2n1CC(=O)Nc1ccc2CCCc2c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C27H28N4O3S/c1-30(35(33,34)23-10-3-2-4-11-23)17-16-26-29-24-12-5-6-13-25(24)31(26)19-27(32)28-22-15-14-20-8-7-9-21(20)18-22/h2-6,10-15,18H,7-9,16-17,19H2,1H3,(H,28,32)
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| InChIKey |
UKXFMMMDLFPBJW-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