General Information of the Compound
| Compound ID |
CP0385709
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| Compound Name |
1-[2-methyl-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 |
C22H26N4O5S
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| Molecular Weight |
458.54
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| Canonical SMILES |
CCC(=O)N1C(C)Cc2cc(ccc12)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C22H26N4O5S/c1-3-22(27)25-16(2)14-17-15-20(8-9-21(17)25)32(30,31)24-12-10-23(11-13-24)18-4-6-19(7-5-18)26(28)29/h4-9,15-16H,3,10-14H2,1-2H3
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| InChIKey |
OMBBTEAXQJIANI-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2