General Information of the Compound
| Compound ID |
CP0413154
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| Compound Name |
(3S)-3-cyclopropyl-3-[3-[[3-(2,2-dimethylpropyl)-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C31H35FO4
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| Molecular Weight |
490.615
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)cc1CC(C)(C)C
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| InChI |
InChI=1S/C31H35FO4/c1-31(2,3)18-23-14-20(8-12-26(23)28-16-24(35-4)11-13-29(28)32)19-36-25-7-5-6-22(15-25)27(17-30(33)34)21-9-10-21/h5-8,11-16,21,27H,9-10,17-19H2,1-4H3,(H,33,34)/t27-/m0/s1
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| InChIKey |
CHAYQWDKVTTZAL-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