General Information of the Compound
Compound ID
CP0525422
Compound Name
4-Dimethylphenylsilylphenol
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Structure
Formula
C14H16OSi
Molecular Weight
228.367
Canonical SMILES
C[Si](C)(c1ccccc1)c1ccc(O)cc1
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InChI
InChI=1S/C14H16OSi/c1-16(2,13-6-4-3-5-7-13)14-10-8-12(15)9-11-14/h3-11,15H,1-2H3
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InChIKey
QXIQBDCQUFEYPC-UHFFFAOYSA-N
Physicochemical Property
logP
2.2148
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
20.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
16

"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: 12582127
ChEMBL ID
CHEMBL2313450
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)  2
1
EC50 > 30000 nM
   TI
   LI
   LO
   TS
2
IC50 = 13000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00889, Estrogen receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5000 nM
   TI
   LI
   LO
   TS