General Information of the Compound
| Compound ID |
CP0461327
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| Compound Name |
2-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]thiophene
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| Structure |
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| Formula |
C20H20O2S
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| Molecular Weight |
324.445
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| Canonical SMILES |
COc1cccc(CCc2ccccc2OCc2cccs2)c1
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| InChI |
InChI=1S/C20H20O2S/c1-21-18-8-4-6-16(14-18)11-12-17-7-2-3-10-20(17)22-15-19-9-5-13-23-19/h2-10,13-14H,11-12,15H2,1H3
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| InChIKey |
NHBGLFWVBWIDDJ-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