General Information of the Compound
Compound ID
CP0368124
Compound Name
3-chloro-4-[5-(2-chloro-4-hydroxyphenyl)furan-2-yl]phenol
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Structure
Formula
C16H10Cl2O3
Molecular Weight
321.159
Canonical SMILES
Oc1ccc(-c2ccc(o2)-c2ccc(O)cc2Cl)c(Cl)c1
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InChI
InChI=1S/C16H10Cl2O3/c17-13-7-9(19)1-3-11(13)15-5-6-16(21-15)12-4-2-10(20)8-14(12)18/h1-8,19-20H
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InChIKey
GTBPLESAZYJDGC-UHFFFAOYSA-N
Physicochemical Property
logP
5.3316
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
53.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 71625169
ChEMBL ID
CHEMBL2332586
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
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 3890 nM
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