General Information of the Compound
| Compound ID |
CP0080418
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| Compound Name |
(R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-ethyl-chroman-2-carboxylic acid
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| Structure |
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| Formula |
C25H31ClO5
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| Molecular Weight |
446.971
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| Canonical SMILES |
CC[C@@]1(CCc2ccc(OCCCOc3ccc(CC(C)C)cc3Cl)cc2O1)C(O)=O
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| InChI |
InChI=1S/C25H31ClO5/c1-4-25(24(27)28)11-10-19-7-8-20(16-23(19)31-25)29-12-5-13-30-22-9-6-18(14-17(2)3)15-21(22)26/h6-9,15-17H,4-5,10-14H2,1-3H3,(H,27,28)/t25-/m1/s1
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| InChIKey |
FGGPKBRONOYGCT-RUZDIDTESA-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