General Information of the Compound
| Compound ID |
CP0392461
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| Compound Name |
3-[3-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C30H33FO4
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| Molecular Weight |
476.588
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2cccc(CCC(O)=O)c2)cc1[C@@H]1CCCC1(C)C
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| InChI |
InChI=1S/C30H33FO4/c1-30(2)15-5-8-27(30)25-17-21(9-12-24(25)26-18-22(34-3)11-13-28(26)31)19-35-23-7-4-6-20(16-23)10-14-29(32)33/h4,6-7,9,11-13,16-18,27H,5,8,10,14-15,19H2,1-3H3,(H,32,33)/t27-/m0/s1
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| InChIKey |
VYXQKOKWRPKEKI-MHZLTWQESA-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