General Information of the Compound
| Compound ID |
CP0471919
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| Compound Name |
[3-[4-[1-(3-fluoropropyl)azetidin-3-yl]oxyphenoxy]-6-hydroxy-1-benzothiophen-2-yl]-phenylmethanone
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| Structure |
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| Formula |
C27H24FNO4S
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| Molecular Weight |
477.557
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| Canonical SMILES |
Oc1ccc2c(Oc3ccc(OC4CN(CCCF)C4)cc3)c(sc2c1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C27H24FNO4S/c28-13-4-14-29-16-22(17-29)32-20-8-10-21(11-9-20)33-26-23-12-7-19(30)15-24(23)34-27(26)25(31)18-5-2-1-3-6-18/h1-3,5-12,15,22,30H,4,13-14,16-17H2
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| InChIKey |
GDBUFRGXYZTBCF-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