General Information of the Compound
| Compound ID |
CP0462631
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| Compound Name |
1-[5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
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| Structure |
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| Formula |
C23H27N3O4S
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| Molecular Weight |
441.553
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| Canonical SMILES |
CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O
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| InChI |
InChI=1S/C23H27N3O4S/c1-3-23(28)26-11-10-19-16-21(8-9-22(19)26)31(29,30)25-14-12-24(13-15-25)20-6-4-18(5-7-20)17(2)27/h4-9,16H,3,10-15H2,1-2H3
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| InChIKey |
CHRVPHUVXLCABI-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