General Information of the Compound
Compound ID
CP0895767
Compound Name
N,N-Dimethyl-5H-dibenz[b,f]azepine-5-carboxamide
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Structure
Formula
C17H16N2O
Molecular Weight
264.328
Canonical SMILES
CN(C)C(=O)N1c2ccccc2C=Cc2ccccc21
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InChI
InChI=1S/C17H16N2O/c1-18(2)17(20)19-15-9-5-3-7-13(15)11-12-14-8-4-6-10-16(14)19/h3-12H,1-2H3
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InChIKey
KFVYCHMDPPHRRF-UHFFFAOYSA-N
Physicochemical Property
logP
3.9901
Rotatable Bonds
0
Heavy Atom Count
20
Polar Areas
23.55
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
20

"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: 76331932
ChEMBL ID
CHEMBL3103373
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: PT02908, P2X purinoceptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 >= 100000 nM
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