General Information of the Compound
| Compound ID |
CP0231649
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| Compound Name |
4-[5-(4-hydroxyphenyl)-4-methylthiophen-2-yl]phenol
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| Structure |
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| Formula |
C17H14O2S
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| Molecular Weight |
282.364
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| Canonical SMILES |
Cc1cc(sc1-c1ccc(O)cc1)-c1ccc(O)cc1
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| InChI |
InChI=1S/C17H14O2S/c1-11-10-16(12-2-6-14(18)7-3-12)20-17(11)13-4-8-15(19)9-5-13/h2-10,18-19H,1H3
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| InChIKey |
BHMXTAGWVKFVFC-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