General Information of the Compound
| Compound ID |
CP0519200
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| Compound Name |
[3-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenoxy]-6-hydroxy-1-benzothiophen-2-yl]-(4-fluoro-2-methylphenyl)methanone
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| Structure |
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| Formula |
C28H25F2NO4S
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| Molecular Weight |
509.574
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| Canonical SMILES |
Cc1cc(F)ccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CC(CF)C2)cc1
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| InChI |
InChI=1S/C28H25F2NO4S/c1-17-12-19(30)2-8-23(17)26(33)28-27(24-9-3-20(32)13-25(24)36-28)35-22-6-4-21(5-7-22)34-11-10-31-15-18(14-29)16-31/h2-9,12-13,18,32H,10-11,14-16H2,1H3
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| InChIKey |
UMPQMNYFZANTRU-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