General Information of the Compound
| Compound ID |
CP0494016
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| Compound Name |
(3S)-3-[3-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]-4-methylpentanoic acid
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| Structure |
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| Formula |
C30H35FO4
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| Molecular Weight |
478.604
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C(C)C)cc1C(C)(C)C
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| InChI |
InChI=1S/C30H35FO4/c1-19(2)25(17-29(32)33)21-8-7-9-23(15-21)35-18-20-10-12-24(27(14-20)30(3,4)5)26-16-22(34-6)11-13-28(26)31/h7-16,19,25H,17-18H2,1-6H3,(H,32,33)/t25-/m0/s1
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| InChIKey |
JVRQAGBRXMSVNM-VWLOTQADSA-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