General Information of the Compound
Compound ID
CP0848277
Compound Name
10-(Methylamino)-5H-dibenzo[b,f]azepine-5-carboxamide
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Structure
Formula
C16H15N3O
Molecular Weight
265.316
Canonical SMILES
CNC1=Cc2ccccc2N(C(N)=O)c2ccccc21
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InChI
InChI=1S/C16H15N3O/c1-18-13-10-11-6-2-4-8-14(11)19(16(17)20)15-9-5-3-7-12(13)15/h2-10,18H,1H3,(H2,17,20)
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InChIKey
MYVHERNIABGMAP-UHFFFAOYSA-N
Physicochemical Property
logP
2.9343
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
58.36
Hydrogen Bond Donor Count
2
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: 76328255
ChEMBL ID
CHEMBL3103366
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 = 36900 nM
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