General Information of the Compound
| Compound ID |
CP0425681
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| Compound Name |
4-[4-(1-acetylindolin-5-yl)sulfonylpiperazino]benzonitrile
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| Structure |
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| Formula |
C21H22N4O3S
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| Molecular Weight |
410.499
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| Canonical SMILES |
CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C21H22N4O3S/c1-16(26)25-9-8-18-14-20(6-7-21(18)25)29(27,28)24-12-10-23(11-13-24)19-4-2-17(15-22)3-5-19/h2-7,14H,8-13H2,1H3
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| InChIKey |
JZCBZZIWVBWSLX-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