General Information of the Compound
| Compound ID |
CP0080381
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| Compound Name |
(R)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]-propoxy}-2-methyl-chroman-2-carboxylic acid
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| Structure |
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| Formula |
C22H22ClF3O6
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| Molecular Weight |
474.859
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| Canonical SMILES |
C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O
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| InChI |
InChI=1S/C22H22ClF3O6/c1-21(20(27)28)8-7-14-3-4-16(12-19(14)32-21)29-9-2-10-30-18-6-5-15(11-17(18)23)31-13-22(24,25)26/h3-6,11-12H,2,7-10,13H2,1H3,(H,27,28)/t21-/m1/s1
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| InChIKey |
NYYTUEOWARPYTL-OAQYLSRUSA-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