General Information of the Compound
| Compound ID |
CP0427443
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| Compound Name |
4-[5-[5-(4-ethyl-3-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
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| Structure |
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| Formula |
C23H23N3O6S
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| Molecular Weight |
469.519
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| Canonical SMILES |
CCc1ccc(cc1S(C)(=O)=O)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
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| InChI |
InChI=1S/C23H23N3O6S/c1-3-14-4-5-17(13-19(14)33(2,30)31)23-24-22(25-32-23)16-6-7-18-15(12-16)10-11-26(18)20(27)8-9-21(28)29/h4-7,12-13H,3,8-11H2,1-2H3,(H,28,29)
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| InChIKey |
YFVCFIYWQTVLIC-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