General Information of the Compound
| Compound ID |
CP0540081
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| Compound Name |
(3R)-6-[2-[[4-[3,5-difluoro-4-(furan-2-yl)phenyl]-2-methyl-1,3-thiazol-5-yl]methyl]phenoxy]-3-methylhexanoic acid
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| Structure |
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| Formula |
C28H27F2NO4S
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| Molecular Weight |
511.59
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| Canonical SMILES |
C[C@H](CCCOc1ccccc1Cc1sc(C)nc1-c1cc(F)c(-c2ccco2)c(F)c1)CC(O)=O
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| InChI |
InChI=1S/C28H27F2NO4S/c1-17(13-26(32)33)7-5-11-34-23-9-4-3-8-19(23)16-25-28(31-18(2)36-25)20-14-21(29)27(22(30)15-20)24-10-6-12-35-24/h3-4,6,8-10,12,14-15,17H,5,7,11,13,16H2,1-2H3,(H,32,33)/t17-/m1/s1
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| InChIKey |
OFQLTFPGWVUUBB-QGZVFWFLSA-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