General Information of the Compound
| Compound ID |
CP0475088
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| Compound Name |
4-[5-[5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
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| Structure |
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| Formula |
C22H19F2N3O6
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| Molecular Weight |
459.405
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| Canonical SMILES |
COc1cc(ccc1OC(F)F)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
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| InChI |
InChI=1S/C22H19F2N3O6/c1-31-17-11-14(3-5-16(17)32-22(23)24)21-25-20(26-33-21)13-2-4-15-12(10-13)8-9-27(15)18(28)6-7-19(29)30/h2-5,10-11,22H,6-9H2,1H3,(H,29,30)
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| InChIKey |
DJGHLXOQQKKYFO-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