General Information of the Compound
| Compound ID |
CP0184722
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| Compound Name |
(R)-7-[3-(2-Chloro-4-cyclobutylmethoxy-phenoxy)-propoxy]-2-methyl-chroman-2-carboxylic acid
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| Structure |
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| Formula |
C25H29ClO6
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| Molecular Weight |
460.954
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| Canonical SMILES |
C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC4CCC4)cc3Cl)cc2O1)C(O)=O
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| InChI |
InChI=1S/C25H29ClO6/c1-25(24(27)28)11-10-18-6-7-20(15-23(18)32-25)29-12-3-13-30-22-9-8-19(14-21(22)26)31-16-17-4-2-5-17/h6-9,14-15,17H,2-5,10-13,16H2,1H3,(H,27,28)/t25-/m1/s1
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| InChIKey |
WHNJVGMJNZSPJJ-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