General Information of the Compound
Compound ID
CP0422965
Compound Name
N-benzyl-2-carbazol-9-yl-N-ethylacetamide
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Structure
Formula
C23H22N2O
Molecular Weight
342.442
Canonical SMILES
CCN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc12
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InChI
InChI=1S/C23H22N2O/c1-2-24(16-18-10-4-3-5-11-18)23(26)17-25-21-14-8-6-12-19(21)20-13-7-9-15-22(20)25/h3-15H,2,16-17H2,1H3
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InChIKey
NZRSANOBFLAIGO-UHFFFAOYSA-N
Physicochemical Property
logP
4.8432
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 145958209
ChEMBL ID
CHEMBL4161842
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
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 70 nM
   TI
   LI
   LO
   TS
2
Ki = 318.5 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  2
1
Ki = 91.6 nM
   TI
   LI
   LO
   TS
2
Ki = 459.6 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)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS