General Information of the Compound
Compound ID
CP0382637
Compound Name
4-[diethyl-(4-hydroxyphenyl)silyl]phenol
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Structure
Formula
C16H20O2Si
Molecular Weight
272.42
Canonical SMILES
CC[Si](CC)(c1ccc(O)cc1)c1ccc(O)cc1
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InChI
InChI=1S/C16H20O2Si/c1-3-19(4-2,15-9-5-13(17)6-10-15)16-11-7-14(18)8-12-16/h5-12,17-18H,3-4H2,1-2H3
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InChIKey
JNUABJRDTVGXLW-UHFFFAOYSA-N
Physicochemical Property
logP
2.7006
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
40.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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).

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PubChem ID
CID: 23349396
ChEMBL ID
CHEMBL3235685
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00886, Estrogen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 115 nM
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