General Information of the Compound
| Compound ID |
CP0519202
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| Compound Name |
(4-fluoro-2,6-dimethylphenyl)-[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]methanone
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| Structure |
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| Formula |
C29H27F2NO4S
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| Molecular Weight |
523.601
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| Canonical SMILES |
Cc1cc(F)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1
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| InChI |
InChI=1S/C29H27F2NO4S/c1-17-11-20(31)12-18(2)26(17)27(34)29-28(24-8-3-21(33)13-25(24)37-29)36-23-6-4-22(5-7-23)35-10-9-32-15-19(14-30)16-32/h3-8,11-13,19,33H,9-10,14-16H2,1-2H3
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| InChIKey |
XOIXKPAMOCOEMO-UHFFFAOYSA-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