General Information of the Compound
| Compound ID |
CP0433637
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| Compound Name |
2-[(8S)-3-[3-(4-fluoro-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 |
C25H21FO5
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| Molecular Weight |
420.436
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| Canonical SMILES |
Cc1cc(F)ccc1-c1cccc(c1)C1COc2cc3[C@H](CC(O)=O)COc3cc2O1
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| InChI |
InChI=1S/C25H21FO5/c1-14-7-18(26)5-6-19(14)15-3-2-4-16(8-15)24-13-30-22-10-20-17(9-25(27)28)12-29-21(20)11-23(22)31-24/h2-8,10-11,17,24H,9,12-13H2,1H3,(H,27,28)/t17-,24?/m1/s1
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| InChIKey |
IBAZWTZRABBVLO-BPNWFJGMSA-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