General Information of the Compound
| Compound ID |
CP0100791
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| Compound Name |
4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenol
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| Structure |
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| Formula |
C21H28O2
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| Molecular Weight |
312.453
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| Canonical SMILES |
CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
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| InChI |
InChI=1S/C21H28O2/c1-5-11-21(12-6-2,17-7-9-19(22)15(3)13-17)18-8-10-20(23)16(4)14-18/h7-10,13-14,22-23H,5-6,11-12H2,1-4H3
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| InChIKey |
FVGZXPPPHOJKSK-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