General Information of the Compound
| Compound ID |
CP0149819
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| Compound Name |
(R)-7-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-propoxy]-2-methyl-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 |
C[C@@]1(CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O
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| InChI |
InChI=1S/C21H20ClF3O6/c1-20(19(26)27)8-7-13-3-4-14(12-18(13)31-20)28-9-2-10-29-17-6-5-15(11-16(17)22)30-21(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,26,27)/t20-/m1/s1
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| InChIKey |
WUWGFTGOXMGELJ-HXUWFJFHSA-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