General Information of the Compound
| Compound ID |
CP0380562
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| Compound Name |
2-[(8S)-3-[3-(2,4,6-trimethylphenyl)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 |
C27H26O5
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| Molecular Weight |
430.5
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| Canonical SMILES |
Cc1cc(C)c(c(C)c1)-c1cccc(c1)C1COc2cc3[C@H](CC(O)=O)COc3cc2O1
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| InChI |
InChI=1S/C27H26O5/c1-15-7-16(2)27(17(3)8-15)19-6-4-5-18(9-19)25-14-31-23-11-21-20(10-26(28)29)13-30-22(21)12-24(23)32-25/h4-9,11-12,20,25H,10,13-14H2,1-3H3,(H,28,29)/t20-,25?/m1/s1
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| InChIKey |
YYKPOIGAARJKEC-VGOKPJQXSA-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