General Information of the Compound
| Compound ID |
CP0409589
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| Compound Name |
(3S)-3-ethoxy-3-[4-[[(1R)-4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C21H21F3O5
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| Molecular Weight |
410.388
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| Canonical SMILES |
CCO[C@@H](CC(O)=O)c1ccc(O[C@@H]2CCc3c2cccc3OC(F)(F)F)cc1
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| InChI |
InChI=1S/C21H21F3O5/c1-2-27-19(12-20(25)26)13-6-8-14(9-7-13)28-17-11-10-16-15(17)4-3-5-18(16)29-21(22,23)24/h3-9,17,19H,2,10-12H2,1H3,(H,25,26)/t17-,19+/m1/s1
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| InChIKey |
ROWRXYULWPJJTI-MJGOQNOKSA-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