General Information of the Compound
| Compound ID |
CP0335222
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| Compound Name |
1-[4-[4-(1-acetyl-2-methyl-indolin-5-yl)sulfonylpiperazino]phenyl]ethanone
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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 |
CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(C)=O
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| InChI |
InChI=1S/C23H27N3O4S/c1-16-14-20-15-22(8-9-23(20)26(16)18(3)28)31(29,30)25-12-10-24(11-13-25)21-6-4-19(5-7-21)17(2)27/h4-9,15-16H,10-14H2,1-3H3
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| InChIKey |
KKTXEJHXGWOSSX-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