General Information of the Compound
| Compound ID |
CP0415863
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| Compound Name |
1-[5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
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| Structure |
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| Formula |
C21H24N4O5S
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| Molecular Weight |
444.513
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| Canonical SMILES |
CCC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C21H24N4O5S/c1-2-21(26)24-10-9-16-15-19(7-8-20(16)24)31(29,30)23-13-11-22(12-14-23)17-3-5-18(6-4-17)25(27)28/h3-8,15H,2,9-14H2,1H3
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| InChIKey |
OTWARXKEWMODBL-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