General Information of the Compound
Compound ID
CP0084496
Compound Name
5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide
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Structure
Formula
C15H14N2O
Molecular Weight
238.29
Canonical SMILES
NC(=O)N1c2ccccc2CCc2ccccc12
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InChI
InChI=1S/C15H14N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2,(H2,16,18)
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InChIKey
PHNLCHMJDSSPDQ-UHFFFAOYSA-N
CAS
3564-73-6
Physicochemical Property
logP
3.002
Rotatable Bonds
0
Heavy Atom Count
18
Polar Areas
46.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
18

"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: 19099
SID: 14773973
ChEMBL ID
CHEMBL41543
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