General Information of the Compound
| Compound ID |
CP0400010
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| Compound Name |
4-[1,1-bis(4-hydroxyphenyl)but-1-en-2-yl]phenol
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| Synonyms |
4-[1,2-bis(4-hydroxyphenyl)but-1-enyl]phenol
CHEMBL37775
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| Structure |
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| Formula |
C22H20O3
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| Molecular Weight |
332.399
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| Canonical SMILES |
CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)cc1
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| InChI |
InChI=1S/C22H20O3/c1-2-21(15-3-9-18(23)10-4-15)22(16-5-11-19(24)12-6-16)17-7-13-20(25)14-8-17/h3-14,23-25H,2H2,1H3
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| InChIKey |
CUXRGANZEHBODX-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
Clinical Information about the Compound