General Information of the Compound
| Compound ID |
CP0519201
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| Compound Name |
[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-hydroxyphenyl)methanone
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| Structure |
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| Formula |
C27H24FNO5S
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| Molecular Weight |
493.556
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| Canonical SMILES |
Oc1ccc(cc1)C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1
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| InChI |
InChI=1S/C27H24FNO5S/c28-14-17-15-29(16-17)11-12-33-21-6-8-22(9-7-21)34-26-23-10-5-20(31)13-24(23)35-27(26)25(32)18-1-3-19(30)4-2-18/h1-10,13,17,30-31H,11-12,14-16H2
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| InChIKey |
IGQOHHXGWRYPLU-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