General Information of the Compound
Compound ID
CP0962322
Compound Name
N,N-Diethyl-2-(3-phenyl-9H-carbazole-9-yl)acetamide
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Structure
Formula
C24H24N2O
Molecular Weight
356.469
Canonical SMILES
CCN(CC)C(=O)Cn1c2ccccc2c2cc(-c3ccccc3)ccc21
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InChI
InChI=1S/C24H24N2O/c1-3-25(4-2)24(27)17-26-22-13-9-8-12-20(22)21-16-19(14-15-23(21)26)18-10-6-5-7-11-18/h5-16H,3-4,17H2,1-2H3
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InChIKey
NUELVJMQQKAOJK-UHFFFAOYSA-N
Physicochemical Property
logP
5.3299
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 145971987
ChEMBL ID
CHEMBL4177167
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 = 31.6 nM
   TI
   LI
   LO
   TS
2
Ki = 159.8 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  2
1
IC50 = 22900 nM
   TI
   LI
   LO
   TS
2
IC50 = 50500 nM
   TI
   LI
   LO
   TS