General Information of the Compound
Compound ID
CP0387944
Compound Name
benzo[b][1]benzazepin-11-yl(phenyl)methanone
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Structure
Formula
C21H15NO
Molecular Weight
297.357
Canonical SMILES
O=C(N1c2ccccc2C=Cc2ccccc12)c1ccccc1
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InChI
InChI=1S/C21H15NO/c23-21(18-10-2-1-3-11-18)22-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)22/h1-15H
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InChIKey
ANHDOYXQBIZDSB-UHFFFAOYSA-N
Physicochemical Property
logP
5.1489
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
20.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
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: 571066
SID: 15644110
ChEMBL ID
CHEMBL3103398
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 = 23300 nM
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