General Information of the Compound
| Compound ID |
CP0197744
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| Compound Name |
4-[5-(2-chloro-4-hydroxyphenyl)thiophen-2-yl]-3-methylphenol
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| Structure |
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| Formula |
C17H13ClO2S
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| Molecular Weight |
316.809
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| Canonical SMILES |
Cc1cc(O)ccc1-c1ccc(s1)-c1ccc(O)cc1Cl
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| InChI |
InChI=1S/C17H13ClO2S/c1-10-8-11(19)2-4-13(10)16-6-7-17(21-16)14-5-3-12(20)9-15(14)18/h2-9,19-20H,1H3
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| InChIKey |
PXXCXFQBMVJSRQ-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