General Information of the Compound
Compound ID
CP0435429
Compound Name
5-(3-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
Clc1cccc(c1)C1CN(C(=O)O1)c1ccc2CCNCCc2c1
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InChI
InChI=1S/C19H19ClN2O2/c20-16-3-1-2-15(10-16)18-12-22(19(23)24-18)17-5-4-13-6-8-21-9-7-14(13)11-17/h1-5,10-11,18,21H,6-9,12H2
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InChIKey
HVMSYLRLICDYHH-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: 90656170
ChEMBL ID
CHEMBL3260803
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 = 10 nM
   TI
   LI
   LO
   TS