General Information of the Compound
Compound ID
CP0443261
Compound Name
N,N-diethyl-2-[2-(4-methoxyphenyl)-4,6-dimethylindol-1-yl]acetamide
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Structure
Formula
C23H28N2O2
Molecular Weight
364.489
Canonical SMILES
CCN(CC)C(=O)Cn1c(cc2c(C)cc(C)cc12)-c1ccc(OC)cc1
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InChI
InChI=1S/C23H28N2O2/c1-6-24(7-2)23(26)15-25-21(18-8-10-19(27-5)11-9-18)14-20-17(4)12-16(3)13-22(20)25/h8-14H,6-7,15H2,1-5H3
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InChIKey
RKBQFQARDYWAHE-UHFFFAOYSA-N
Physicochemical Property
logP
4.80214
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
34.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 122196423
ChEMBL ID
CHEMBL3634876
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)  1
1
Ki = 28.13 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 652 nM
   TI
   LI
   LO
   TS
CL000552 T98G Homo sapiens (Human)  1
1
Ki = 806 nM
   TI
   LI
   LO
   TS