General Information of the Compound
| Compound ID |
CP0415859
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| Compound Name |
1-[4-[4-[(1-cyclopropylcarbonyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]phenyl]ethanone
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| Structure |
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| Formula |
C24H27N3O4S
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| Molecular Weight |
453.564
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| Canonical SMILES |
CC(=O)c1ccc(cc1)N1CCN(CC1)S(=O)(=O)c1ccc2N(CCc2c1)C(=O)C1CC1
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| InChI |
InChI=1S/C24H27N3O4S/c1-17(28)18-4-6-21(7-5-18)25-12-14-26(15-13-25)32(30,31)22-8-9-23-20(16-22)10-11-27(23)24(29)19-2-3-19/h4-9,16,19H,2-3,10-15H2,1H3
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| InChIKey |
FRHNCSSFGOEQQE-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