General Information of the Compound
| Compound ID |
CP0474591
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| Compound Name |
1-[4-[4-(1-acetylindolin-5-yl)sulfonylpiperazino]phenyl]ethanone
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| Structure |
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| Formula |
C22H25N3O4S
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| Molecular Weight |
427.526
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| Canonical SMILES |
CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O
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| InChI |
InChI=1S/C22H25N3O4S/c1-16(26)18-3-5-20(6-4-18)23-11-13-24(14-12-23)30(28,29)21-7-8-22-19(15-21)9-10-25(22)17(2)27/h3-8,15H,9-14H2,1-2H3
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| InChIKey |
XXOXFAXJMXWHSL-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