General Information of the Compound
| Compound ID |
CP0080420
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| Compound Name |
(R)-7-[3-(2-Chloro-4-fluoro-phenoxy)-propoxy]-2-ethyl-chroman-2-carboxylic acid
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| Structure |
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| Formula |
C21H22ClFO5
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| Molecular Weight |
408.853
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| Canonical SMILES |
CC[C@@]1(CCc2ccc(OCCCOc3ccc(F)cc3Cl)cc2O1)C(O)=O
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| InChI |
InChI=1S/C21H22ClFO5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(23)12-17(18)22/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1
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| InChIKey |
HRLIFFYSYMIPQF-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