General Information of the Compound
Compound ID
CP0382459
Compound Name
2-Chloro-4-[5-(2-chloro-4-hydroxy-phenyl)-4,5-dihydro-1H-imidazol-4-yl]-phenol
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Structure
Formula
C15H12Cl2N2O2
Molecular Weight
323.179
Canonical SMILES
Oc1ccc([C@H]2NC=N[C@H]2c2ccc(O)cc2Cl)c(Cl)c1
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InChI
InChI=1S/C15H12Cl2N2O2/c16-12-5-8(20)1-3-10(12)14-15(19-7-18-14)11-4-2-9(21)6-13(11)17/h1-7,14-15,20-21H,(H,18,19)/t14-,15+
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InChIKey
AKCOSDIBWNSUIS-GASCZTMLSA-N
Physicochemical Property
logP
3.8185
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
64.85
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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: 49837843
SID: 15074365
ChEMBL ID
CHEMBL114159
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
CL000644 MCF-7-2a Homo sapiens (Human)  1
1
EC50 = 380 nM
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