General Information of the Compound
Compound ID
CP0930152
Compound Name
N,N-Diethyl-2-(3-(4-methoxyphenyl)-9H-carbazole-9-yl)acetamide
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Structure
Formula
C25H26N2O2
Molecular Weight
386.495
Canonical SMILES
CCN(CC)C(=O)Cn1c2ccccc2c2cc(-c3ccc(OC)cc3)ccc21
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InChI
InChI=1S/C25H26N2O2/c1-4-26(5-2)25(28)17-27-23-9-7-6-8-21(23)22-16-19(12-15-24(22)27)18-10-13-20(29-3)14-11-18/h6-16H,4-5,17H2,1-3H3
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InChIKey
MAALAPNLDWSGJX-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: 145951649
ChEMBL ID
CHEMBL4173816
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 = 28.9 nM
   TI
   LI
   LO
   TS
2
Ki = 93.4 nM
   TI
   LI
   LO
   TS