General Information of the Compound
| Compound ID |
CP0368130
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| Compound Name |
3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)-4-methylthiophen-2-yl]phenol
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| Structure |
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| Formula |
C17H12Cl2O2S
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| Molecular Weight |
351.254
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| Canonical SMILES |
Cc1cc(sc1-c1ccc(O)cc1Cl)-c1ccc(O)cc1Cl
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| InChI |
InChI=1S/C17H12Cl2O2S/c1-9-6-16(12-4-2-10(20)7-14(12)18)22-17(9)13-5-3-11(21)8-15(13)19/h2-8,20-21H,1H3
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| InChIKey |
SYKYEGTTWRENSH-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