General Information of the Compound
Compound ID
CP0571235
Compound Name
5-(2-chlorophenyl)-3-(3-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
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Structure
Formula
C19H20ClN3O2
Molecular Weight
357.841
Canonical SMILES
Clc1ccccc1C1CN(C(=O)O1)c1cccc(c1)N1CCNCC1
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InChI
InChI=1S/C19H20ClN3O2/c20-17-7-2-1-6-16(17)18-13-23(19(24)25-18)15-5-3-4-14(12-15)22-10-8-21-9-11-22/h1-7,12,18,21H,8-11,13H2
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InChIKey
ZQDZOAYNWRSFDS-UHFFFAOYSA-N
Physicochemical Property
logP
3.4475
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
44.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 90656172
ChEMBL ID
CHEMBL3260805
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 140 nM
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