General Information of the Compound
| Compound ID |
CP0396563
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| Compound Name |
2-[(8S)-3-[3-[2-methyl-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 |
C29H30O8S
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| Molecular Weight |
538.618
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| Canonical SMILES |
Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(c1)C1COc2cc3[C@H](CC(O)=O)COc3cc2O1
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| InChI |
InChI=1S/C29H30O8S/c1-18-11-22(34-9-4-10-38(2,32)33)7-8-23(18)19-5-3-6-20(12-19)28-17-36-26-14-24-21(13-29(30)31)16-35-25(24)15-27(26)37-28/h3,5-8,11-12,14-15,21,28H,4,9-10,13,16-17H2,1-2H3,(H,30,31)/t21-,28?/m1/s1
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| InChIKey |
PSCSPRXNTYPGSP-IHKRANBOSA-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