General Information of the Compound
Compound ID
CP0565401
Compound Name
5-(2-chlorophenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one
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Structure
Formula
C19H19ClN2O2
Molecular Weight
342.826
Canonical SMILES
Clc1ccccc1C1CN(C(=O)O1)c1ccc2CCNCCc2c1
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InChI
InChI=1S/C19H19ClN2O2/c20-17-4-2-1-3-16(17)18-12-22(19(23)24-18)15-6-5-13-7-9-21-10-8-14(13)11-15/h1-6,11,18,21H,7-10,12H2
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InChIKey
AOCRQCFKVGZSSD-UHFFFAOYSA-N
Physicochemical Property
logP
3.7261
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 90656168
ChEMBL ID
CHEMBL3260801
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 = 47 nM
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