General Information of the Compound
| Compound ID |
CP0180190
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| Compound Name |
(R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-propoxy}-2-methyl-chroman-2-carboxylic acid
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| Structure |
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| Formula |
C26H24ClFO6
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| Molecular Weight |
486.923
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| Canonical SMILES |
C[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
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| InChI |
InChI=1S/C26H24ClFO6/c1-26(25(29)30)12-11-17-3-6-20(16-24(17)34-26)31-13-2-14-32-23-10-9-21(15-22(23)27)33-19-7-4-18(28)5-8-19/h3-10,15-16H,2,11-14H2,1H3,(H,29,30)/t26-/m1/s1
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| InChIKey |
FIHJPLGXFTWHLZ-AREMUKBSSA-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