General Information of the Compound
Compound ID
CP0435428
Compound Name
5-(2-methoxyphenyl)-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one
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Structure
Formula
C20H22N2O3
Molecular Weight
338.407
Canonical SMILES
COc1ccccc1C1CN(C(=O)O1)c1ccc2CCNCCc2c1
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InChI
InChI=1S/C20H22N2O3/c1-24-18-5-3-2-4-17(18)19-13-22(20(23)25-19)16-7-6-14-8-10-21-11-9-15(14)12-16/h2-7,12,19,21H,8-11,13H2,1H3
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InChIKey
GSQMQLHXMARDGT-UHFFFAOYSA-N
Physicochemical Property
logP
3.0813
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
50.8
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: 90656169
ChEMBL ID
CHEMBL3260802
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 = 87 nM
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