General Information of the Compound
| Compound ID |
CP0477311
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| Compound Name |
2-[(3S,8S)-3-[3-[2-chloro-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 |
C28H27ClO8S
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| Molecular Weight |
559.036
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| Canonical SMILES |
CS(=O)(=O)CCCOc1ccc(c(Cl)c1)-c1cccc(c1)[C@H]1COc2cc3[C@H](CC(O)=O)COc3cc2O1
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| InChI |
InChI=1S/C28H27ClO8S/c1-38(32,33)9-3-8-34-20-6-7-21(23(29)12-20)17-4-2-5-18(10-17)27-16-36-25-13-22-19(11-28(30)31)15-35-24(22)14-26(25)37-27/h2,4-7,10,12-14,19,27H,3,8-9,11,15-16H2,1H3,(H,30,31)/t19-,27-/m1/s1
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| InChIKey |
XWTMRQLTATXZCG-XHCCPWGMSA-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