General Information of the Compound
Compound ID
CP0919006
Compound Name
10-Bromo-11H-dibenzo[b,e]azepine hydrochloride
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Structure
Formula
C14H11BrClN
Molecular Weight
308.606
Canonical SMILES
Brc1cccc2c1Cc1ccccc1N=C2.Cl
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InChI
InChI=1S/C14H10BrN.ClH/c15-13-6-3-5-11-9-16-14-7-2-1-4-10(14)8-12(11)13;/h1-7,9H,8H2;1H
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InChIKey
GTPVAXPIMADIIJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.5257
Rotatable Bonds
0
Heavy Atom Count
17
Polar Areas
12.36
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 52941474
ChEMBL ID
CHEMBL1256161
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: PT02149, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293 Homo sapiens (Human)  1
1
EC50 = 3.5 nM
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