General Information of the Compound
Compound ID |
CP0498320
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Compound Name |
(3R)-3-[3-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]hexanoic 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 |
CCC[C@H](CC(O)=O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c(c2)C(C)(C)C)c1
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InChI |
InChI=1S/C30H35FO4/c1-6-8-21(17-29(32)33)22-9-7-10-24(16-22)35-19-20-11-13-25(27(15-20)30(2,3)4)26-18-23(34-5)12-14-28(26)31/h7,9-16,18,21H,6,8,17,19H2,1-5H3,(H,32,33)/t21-/m1/s1
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InChIKey |
GOFGLMCLGYEAQR-OAQYLSRUSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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