General Information of the Compound
Compound ID
CP0481445
Compound Name
1-(3-chlorophenyl)-N-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)piperidine-4-carboxamide
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Structure
Formula
C20H20ClN3O3
Molecular Weight
385.851
Canonical SMILES
Clc1cccc(c1)N1CCC(CC1)C(=O)Nc1ccc2OCC(=O)Nc2c1
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InChI
InChI=1S/C20H20ClN3O3/c21-14-2-1-3-16(10-14)24-8-6-13(7-9-24)20(26)22-15-4-5-18-17(11-15)23-19(25)12-27-18/h1-5,10-11,13H,6-9,12H2,(H,22,26)(H,23,25)
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InChIKey
KQRVZKZPDUCBBG-UHFFFAOYSA-N
Physicochemical Property
logP
3.526
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 11639605
SID: 16742870
ChEMBL ID
CHEMBL497662
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: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 97 nM
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