General Information of the Compound
Compound ID
CP0905654
Compound Name
N,N-Diethyl-2-(3-(2-methoxyphenyl)-9H-carbazol-9-yl)acetamide
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Structure
Formula
C25H26N2O2
Molecular Weight
386.495
Canonical SMILES
CCN(CC)C(=O)Cn1c2ccccc2c2cc(-c3ccccc3OC)ccc21
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InChI
InChI=1S/C25H26N2O2/c1-4-26(5-2)25(28)17-27-22-12-8-6-11-20(22)21-16-18(14-15-23(21)27)19-10-7-9-13-24(19)29-3/h6-16H,4-5,17H2,1-3H3
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InChIKey
KJUGBTHIBKTKIG-UHFFFAOYSA-N
Physicochemical Property
logP
5.3385
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
34.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 145954243
ChEMBL ID
CHEMBL4165898
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 = 25.4 nM
   TI
   LI
   LO
   TS
2
Ki = 137.3 nM
   TI
   LI
   LO
   TS