General Information of the Compound
| Compound ID |
CP0415857
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| Compound Name |
4-[4-(1-propionylindolin-5-yl)sulfonylpiperazino]benzonitrile
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| Structure |
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| Formula |
C22H24N4O3S
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| Molecular Weight |
424.526
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| Canonical SMILES |
CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H24N4O3S/c1-2-22(27)26-10-9-18-15-20(7-8-21(18)26)30(28,29)25-13-11-24(12-14-25)19-5-3-17(16-23)4-6-19/h3-8,15H,2,9-14H2,1H3
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| InChIKey |
WPNJSSIGAQECNK-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