General Information of the Compound
| Compound ID |
CP0474185
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| Compound Name |
(4-fluoro-2,6-dimethylphenyl)-[3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-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(OC2CN(CCCF)C2)cc1
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| InChI |
InChI=1S/C29H27F2NO4S/c1-17-12-19(31)13-18(2)26(17)27(34)29-28(24-9-4-20(33)14-25(24)37-29)36-22-7-5-21(6-8-22)35-23-15-32(16-23)11-3-10-30/h4-9,12-14,23,33H,3,10-11,15-16H2,1-2H3
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| InChIKey |
NVLGQWAGLGESRS-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