General Information of the Compound
| Compound ID |
CP0498189
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| Compound Name |
(3R)-3-[3-[[3-tert-butyl-4-(2-fluoro-5-methoxyphenyl)phenyl]methoxy]phenyl]-4,4,4-trifluorobutanoic acid
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| Structure |
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| Formula |
C28H28F4O4
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| Molecular Weight |
504.52
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| Canonical SMILES |
COc1ccc(F)c(c1)-c1ccc(COc2cccc(c2)[C@@H](CC(O)=O)C(F)(F)F)cc1C(C)(C)C
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| InChI |
InChI=1S/C28H28F4O4/c1-27(2,3)24-12-17(8-10-21(24)22-14-19(35-4)9-11-25(22)29)16-36-20-7-5-6-18(13-20)23(15-26(33)34)28(30,31)32/h5-14,23H,15-16H2,1-4H3,(H,33,34)/t23-/m1/s1
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| InChIKey |
DUPFURSKJXLSBY-HSZRJFAPSA-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