General Information of the Compound
| Compound ID |
CP0393698
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| Compound Name |
2-[(8S)-3-[3-fluoro-5-(trifluoromethyl)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 |
C19H14F4O5
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| Molecular Weight |
398.308
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| Canonical SMILES |
OC(=O)C[C@@H]1COc2cc3OC(COc3cc12)c1cc(F)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C19H14F4O5/c20-12-2-9(1-11(4-12)19(21,22)23)17-8-27-15-5-13-10(3-18(24)25)7-26-14(13)6-16(15)28-17/h1-2,4-6,10,17H,3,7-8H2,(H,24,25)/t10-,17?/m1/s1
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| InChIKey |
XAQXWFCNNIEQMY-YQDUUYOCSA-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