General Information of the Compound
| Compound ID |
CP0368127
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| Compound Name |
4-[5-(4-hydroxy-2-methylphenyl)-4-methylthiophen-2-yl]-3-methylphenol
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| Structure |
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| Formula |
C19H18O2S
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| Molecular Weight |
310.418
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| Canonical SMILES |
Cc1cc(sc1-c1ccc(O)cc1C)-c1ccc(O)cc1C
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| InChI |
InChI=1S/C19H18O2S/c1-11-8-14(20)4-6-16(11)18-10-13(3)19(22-18)17-7-5-15(21)9-12(17)2/h4-10,20-21H,1-3H3
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| InChIKey |
BDPFAHPWEFSOHU-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
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta