General Information of the Compound
Compound ID
CP0943465
Compound Name
(3-((2,4-dichlorophenoxy)methyl)phenyl)methanol
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Structure
Formula
C14H12Cl2O2
Molecular Weight
283.154
Canonical SMILES
OCc1cccc(COc2ccc(Cl)cc2Cl)c1
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InChI
InChI=1S/C14H12Cl2O2/c15-12-4-5-14(13(16)7-12)18-9-11-3-1-2-10(6-11)8-17/h1-7,17H,8-9H2
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InChIKey
UBAHAMNEQLXSGD-UHFFFAOYSA-N
Physicochemical Property
logP
4.0647
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
29.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 155153862
ChEMBL ID
CHEMBL4872542
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: PT06353, Mas-related G-protein coupled receptor member X4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1000 nM
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