General Information of the Compound
| Compound ID |
CP0453383
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| Compound Name |
(3R)-3-[3-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]pentanoic acid
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| Structure |
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| Formula |
C29H33FO4
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| Molecular Weight |
464.577
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| Canonical SMILES |
CC[C@H](CC(O)=O)c1cccc(OCc2ccc(-c3cc(OC)ccc3F)c(c2)C(C)(C)C)c1
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| InChI |
InChI=1S/C29H33FO4/c1-6-20(16-28(31)32)21-8-7-9-23(15-21)34-18-19-10-12-24(26(14-19)29(2,3)4)25-17-22(33-5)11-13-27(25)30/h7-15,17,20H,6,16,18H2,1-5H3,(H,31,32)/t20-/m1/s1
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| InChIKey |
HUGCGGRRMLWFCI-HXUWFJFHSA-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