General Information of the Compound
| Compound ID |
CP0290865
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| Compound Name |
(R)-7-{3-[2-Chloro-4-(tetrahydro-pyran-4-yl)-phenoxy]-propoxy}-2-ethyl-chroman-2-carboxylic acid
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| Structure |
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| Formula |
C26H31ClO6
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| Molecular Weight |
474.981
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| Canonical SMILES |
CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCOCC3)cc2O1)C(O)=O
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| InChI |
InChI=1S/C26H31ClO6/c1-2-26(25(28)29)11-8-19-4-6-21(17-24(19)33-26)31-12-3-13-32-23-7-5-20(16-22(23)27)18-9-14-30-15-10-18/h4-7,16-18H,2-3,8-15H2,1H3,(H,28,29)/t26-/m1/s1
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| InChIKey |
OZGIFXUDSUMYLU-AREMUKBSSA-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