General Information of the Compound
| Compound ID |
CP0446283
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| Compound Name |
2-[(3R,8S)-3-[3-[3-fluoro-2,6-dimethyl-4-(3-methylsulfonylpropoxy)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 |
C30H31FO8S
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| Molecular Weight |
570.635
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| Canonical SMILES |
Cc1cc(OCCCS(C)(=O)=O)c(F)c(C)c1-c1cccc(c1)[C@@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1
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| InChI |
InChI=1S/C30H31FO8S/c1-17-10-26(36-8-5-9-40(3,34)35)30(31)18(2)29(17)20-7-4-6-19(11-20)27-16-38-24-13-22-21(12-28(32)33)15-37-23(22)14-25(24)39-27/h4,6-7,10-11,13-14,21,27H,5,8-9,12,15-16H2,1-3H3,(H,32,33)/t21-,27+/m1/s1
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| InChIKey |
WVVQSZOLICVIIK-ZBLYBZFDSA-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