General Information of the Compound
| Compound ID |
CP0482505
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| Compound Name |
2-[(8S)-3-[3-[2-(trifluoromethyl)phenyl]phenyl]-2,3,7,8-tetrahydrofuro[2,3-g][1,4]benzodioxin-8-yl]acetic acid
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| Structure |
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| Formula |
C25H19F3O5
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| Molecular Weight |
456.416
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| Canonical SMILES |
OC(=O)C[C@@H]1COc2cc3OC(COc3cc12)c1cccc(c1)-c1ccccc1C(F)(F)F
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| InChI |
InChI=1S/C25H19F3O5/c26-25(27,28)19-7-2-1-6-17(19)14-4-3-5-15(8-14)23-13-32-21-10-18-16(9-24(29)30)12-31-20(18)11-22(21)33-23/h1-8,10-11,16,23H,9,12-13H2,(H,29,30)/t16-,23?/m1/s1
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| InChIKey |
AIBXCIUCHSLECL-ADRQNKRLSA-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