General Information of the Compound
Compound ID
CP0443471
Compound Name
2-methoxybenzo[b][1]benzazepine-11-carboxamide
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Structure
Formula
C16H14N2O2
Molecular Weight
266.3
Canonical SMILES
COc1ccc2C=Cc3ccccc3N(C(N)=O)c2c1
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InChI
InChI=1S/C16H14N2O2/c1-20-13-9-8-12-7-6-11-4-2-3-5-14(11)18(16(17)19)15(12)10-13/h2-10H,1H3,(H2,17,19)
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InChIKey
HXPIRBISBSOTPJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3958
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
55.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 70515212
ChEMBL ID
CHEMBL3103391
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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