General Information of the Compound
Compound ID
CP0281711
Compound Name
10-ethoxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide
    Show/Hide
Structure
Formula
C17H18N2O2
Molecular Weight
282.343
Canonical SMILES
CCOC1Cc2ccccc2N(C(N)=O)c2ccccc12
    Show/Hide
InChI
InChI=1S/C17H18N2O2/c1-2-21-16-11-12-7-3-5-9-14(12)19(17(18)20)15-10-6-4-8-13(15)16/h3-10,16H,2,11H2,1H3,(H2,18,20)
    Show/Hide
InChIKey
HTCPWJGLIRJFIX-UHFFFAOYSA-N
Physicochemical Property
logP
3.5371
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
55.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
21

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 2847675
ChEMBL ID
CHEMBL1359461
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
   TI
   LI
   LO
   TS