General Information of the Compound
Compound ID
CP0926699
Compound Name
2-(3-Bromo-9H-carbazole-9-yl)-N,N-diethylacetamide
    Show/Hide
Structure
Formula
C18H19BrN2O
Molecular Weight
359.267
Canonical SMILES
CCN(CC)C(=O)Cn1c2ccccc2c2cc(Br)ccc21
    Show/Hide
InChI
InChI=1S/C18H19BrN2O/c1-3-20(4-2)18(22)12-21-16-8-6-5-7-14(16)15-11-13(19)9-10-17(15)21/h5-11H,3-4,12H2,1-2H3
    Show/Hide
InChIKey
GQKKDXVJZQPZMJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.4254
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 145960315
ChEMBL ID
CHEMBL4164932
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: PT01817, Translocator protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  2
1
Ki = 31.5 nM
   TI
   LI
   LO
   TS
2
Ki = 160.9 nM
   TI
   LI
   LO
   TS