General Information of the Compound
| Compound ID |
CP0277228
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| Compound Name |
7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]-propoxy}-chroman-2-carboxylic acid
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| Structure |
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| Formula |
C21H20ClF3O6
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| Molecular Weight |
460.832
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| Canonical SMILES |
OC(=O)C1CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1
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| InChI |
InChI=1S/C21H20ClF3O6/c22-16-10-14(30-12-21(23,24)25)5-7-17(16)29-9-1-8-28-15-4-2-13-3-6-18(20(26)27)31-19(13)11-15/h2,4-5,7,10-11,18H,1,3,6,8-9,12H2,(H,26,27)
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| InChIKey |
RPDQRDHGKSEOQI-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