General Information of the Compound
| Compound ID |
CP0396561
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| Compound Name |
2-[(3R,8S)-3-[3-(2,6-dimethylphenyl)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 |
C26H24O5
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| Molecular Weight |
416.473
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| Canonical SMILES |
Cc1cccc(C)c1-c1cccc(c1)[C@@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1
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| InChI |
InChI=1S/C26H24O5/c1-15-5-3-6-16(2)26(15)18-8-4-7-17(9-18)24-14-30-22-11-20-19(10-25(27)28)13-29-21(20)12-23(22)31-24/h3-9,11-12,19,24H,10,13-14H2,1-2H3,(H,27,28)/t19-,24+/m1/s1
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| InChIKey |
UWFRHONNJJPBLG-DVECYGJZSA-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