General Information of the Compound
| Compound ID |
CP0415644
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| Compound Name |
(3R)-3-[3-[[3-tert-butyl-4-(5-methoxypyridin-3-yl)phenyl]methoxy]phenyl]hexanoic acid
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| Structure |
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| Formula |
C29H35NO4
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| Molecular Weight |
461.602
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| Canonical SMILES |
CCC[C@H](CC(O)=O)c1cccc(OCc2ccc(-c3cncc(OC)c3)c(c2)C(C)(C)C)c1
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| InChI |
InChI=1S/C29H35NO4/c1-6-8-21(16-28(31)32)22-9-7-10-24(14-22)34-19-20-11-12-26(27(13-20)29(2,3)4)23-15-25(33-5)18-30-17-23/h7,9-15,17-18,21H,6,8,16,19H2,1-5H3,(H,31,32)/t21-/m1/s1
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| InChIKey |
SLTRBEQNZSGFTF-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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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