General Information of the Compound
Compound ID
CP0371223
Compound Name
10,11-dihydro-5H-dibenzo[b,f]azepine
    Show/Hide
Synonyms
10,11-Dihydro-5-dibenz(b,f)azepine
10,11-Dihydro-5H-dibenz(b,f)azepine
10,11-Dihydro-5H-dibenz[b,f]azepine
10,11-Dihydro-5H-dibenzo[b,f]azepine
10,11-Dihydrodibenz(b,f)azepine
10,11-dihydro-5H-dibenzo[b,f]azepine
2,2'-Iminobibenzyl
2,2'-Iminodibenzyl
262BX7OE3U
494-19-9
5H-Dibenz(b,f)azepine, 10,11-dihydro-
5H-Dibenz[b,f]azepine, 10,11-dihydro-
6,11-dihydro-5H-benzo[b][1]benzazepine
AI3-39165
BRN 0152732
CHEMBL63054
EINECS 207-787-1
Iminobibenzyl
Iminodibenzyl
NSC 72110
RP 23669
UNII-262BX7OE3U
ZSMRRZONCYIFNB-UHFFFAOYSA-N
    Show/Hide
Structure
Formula
C14H13N
Molecular Weight
195.265
Canonical SMILES
C1Cc2ccccc2Nc2ccccc12
    Show/Hide
InChI
InChI=1S/C14H13N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-8,15H,9-10H2
    Show/Hide
InChIKey
ZSMRRZONCYIFNB-UHFFFAOYSA-N
CAS
494-19-9
Physicochemical Property
logP
3.5288
Rotatable Bonds
0
Heavy Atom Count
15
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
15

"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: 10308
SID: 16903017
ChEMBL ID
CHEMBL63054
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
IC50 = 17000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 10,11-dihydro-5H-dibenzo[b,f]azepine )
Drug Name 10,11-dihydro-5H-dibenzo[b,f]azepine
Target(s)
5-HT 3A receptor (HTR3A)
 Target Info 
Inhibitor