General Information of the Compound
| Compound ID |
CP0435693
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| Compound Name |
(3S)-3-[3-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C33H33FO4
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| Molecular Weight |
512.621
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)c2ccccc2)cc1C(C)(C)C
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| InChI |
InChI=1S/C33H33FO4/c1-33(2,3)30-17-22(13-15-27(30)29-19-25(37-4)14-16-31(29)34)21-38-26-12-8-11-24(18-26)28(20-32(35)36)23-9-6-5-7-10-23/h5-19,28H,20-21H2,1-4H3,(H,35,36)/t28-/m0/s1
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| InChIKey |
CZMPYWGLNLJPNO-NDEPHWFRSA-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