General Information of the Compound
| Compound ID |
CP0475089
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| Compound Name |
4-[5-[5-[4-methoxy-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
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| Structure |
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| Formula |
C22H18F3N3O5
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| Molecular Weight |
461.396
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| Canonical SMILES |
COc1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O
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| InChI |
InChI=1S/C22H18F3N3O5/c1-32-17-5-3-14(11-15(17)22(23,24)25)21-26-20(27-33-21)13-2-4-16-12(10-13)8-9-28(16)18(29)6-7-19(30)31/h2-5,10-11H,6-9H2,1H3,(H,30,31)
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| InChIKey |
MVAOKSBOSCYLKT-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