General Information of the Compound
| Compound ID |
CP0184773
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| Compound Name |
4-[5-(4-hydroxyphenyl)thiophen-2-yl]phenol
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| Synonyms |
2,5-bis(4-Hydroxyphenyl)thiophene
4,4'-(Thiophene-2,5-diyl)bisphenol
BDBM25849
CHEMBL204010
SCHEMBL1181642
ZINC28571224
hydroxyphenyl substituted thiophene, 21
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| Structure |
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| Formula |
C16H12O2S
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| Molecular Weight |
268.337
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| Canonical SMILES |
Oc1ccc(cc1)-c1ccc(s1)-c1ccc(O)cc1
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| InChI |
InChI=1S/C16H12O2S/c17-13-5-1-11(2-6-13)15-9-10-16(19-15)12-3-7-14(18)8-4-12/h1-10,17-18H
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| InChIKey |
KZMOBYGIRBRCFV-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
Clinical Information about the Compound