General Information of the Compound
| Compound ID |
CP0396559
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| Compound Name |
2-[(8S)-3-(3-phenylphenyl)-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 |
C24H20O5
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| Molecular Weight |
388.419
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| Canonical SMILES |
OC(=O)C[C@@H]1COc2cc3OC(COc3cc12)c1cccc(c1)-c1ccccc1
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| InChI |
InChI=1S/C24H20O5/c25-24(26)10-18-13-27-20-12-22-21(11-19(18)20)28-14-23(29-22)17-8-4-7-16(9-17)15-5-2-1-3-6-15/h1-9,11-12,18,23H,10,13-14H2,(H,25,26)/t18-,23?/m1/s1
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| InChIKey |
UDHNMJLGTSWZMY-FKSKYRLFSA-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