General Information of the Compound
| Compound ID |
CP0396560
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| Compound Name |
2-[(3R,8S)-3-[3-(2-methylphenyl)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 |
C25H22O5
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| Molecular Weight |
402.446
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| Canonical SMILES |
Cc1ccccc1-c1cccc(c1)[C@@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1
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| InChI |
InChI=1S/C25H22O5/c1-15-5-2-3-8-19(15)16-6-4-7-17(9-16)24-14-29-22-11-20-18(10-25(26)27)13-28-21(20)12-23(22)30-24/h2-9,11-12,18,24H,10,13-14H2,1H3,(H,26,27)/t18-,24+/m1/s1
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| InChIKey |
SWOJTKFMLGCXAD-KOSHJBKYSA-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