General Information of the Compound
Compound ID
CP0488491
Compound Name
5-phenyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-2-one
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Structure
Formula
C19H20N2O2
Molecular Weight
308.381
Canonical SMILES
O=C1OC(CN1c1ccc2CCNCCc2c1)c1ccccc1
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InChI
InChI=1S/C19H20N2O2/c22-19-21(13-18(23-19)15-4-2-1-3-5-15)17-7-6-14-8-10-20-11-9-16(14)12-17/h1-7,12,18,20H,8-11,13H2
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InChIKey
RFXDLSNNXKJDNP-UHFFFAOYSA-N
Physicochemical Property
logP
3.0727
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 90656166
ChEMBL ID
CHEMBL3260799
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 = 16 nM
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