General Information of the Compound
| Compound ID |
CP0474603
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| Compound Name |
1-[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
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| Structure |
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| Formula |
C22H27N3O4S
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| Molecular Weight |
429.542
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(C(C)Cc2c1)C(C)=O
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| InChI |
InChI=1S/C22H27N3O4S/c1-16-14-18-15-21(8-9-22(18)25(16)17(2)26)30(27,28)24-12-10-23(11-13-24)19-4-6-20(29-3)7-5-19/h4-9,15-16H,10-14H2,1-3H3
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| InChIKey |
SBIICRSPNJNEPM-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