General Information of the Compound
| Compound ID |
CP0393320
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| Compound Name |
(3R)-3-[3-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
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| Structure |
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| Formula |
C28H31FO4
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| Molecular Weight |
450.55
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@H](C)CC(O)=O)cc1C(C)(C)C
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| InChI |
InChI=1S/C28H31FO4/c1-18(13-27(30)31)20-7-6-8-22(15-20)33-17-19-9-11-23(25(14-19)28(2,3)4)24-16-21(32-5)10-12-26(24)29/h6-12,14-16,18H,13,17H2,1-5H3,(H,30,31)/t18-/m1/s1
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| InChIKey |
YPNJEBYQBOLQMQ-GOSISDBHSA-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