General Information of the Compound
Compound ID
CP0422864
Compound Name
1-(2-isopropylphenyl)-N-(3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)piperidine-4-carboxamide
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Structure
Formula
C23H27N3O3
Molecular Weight
393.487
Canonical SMILES
CC(C)c1ccccc1N1CCC(CC1)C(=O)Nc1ccc2OCC(=O)Nc2c1
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InChI
InChI=1S/C23H27N3O3/c1-15(2)18-5-3-4-6-20(18)26-11-9-16(10-12-26)23(28)24-17-7-8-21-19(13-17)25-22(27)14-29-21/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,24,28)(H,25,27)
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InChIKey
DCEKQJJHTPZBRY-UHFFFAOYSA-N
Physicochemical Property
logP
3.996
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 11610880
SID: 16713753
ChEMBL ID
CHEMBL517013
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 = 78 nM
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