General Information of the Compound
Compound ID
CP0547070
Compound Name
3-[(2,4-dichlorophenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
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Structure
Formula
C16H12Cl2FNO2
Molecular Weight
340.181
Canonical SMILES
Fc1ccc(cc1)C1CN(Cc2ccc(Cl)cc2Cl)C(=O)O1
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InChI
InChI=1S/C16H12Cl2FNO2/c17-12-4-1-11(14(18)7-12)8-20-9-15(22-16(20)21)10-2-5-13(19)6-3-10/h1-7,15H,8-9H2
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InChIKey
VMQZAJINZSNMES-UHFFFAOYSA-N
Physicochemical Property
logP
4.826
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 137632177
ChEMBL ID
CHEMBL4069465
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: PT04078, Acyl-CoA (8-3)-desaturase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 150 nM
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