General Information of the Compound
Compound ID
CP0444015
Compound Name
N-benzyl-2-carbazol-9-yl-N-methylacetamide
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Structure
Formula
C22H20N2O
Molecular Weight
328.415
Canonical SMILES
CN(Cc1ccccc1)C(=O)Cn1c2ccccc2c2ccccc12
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InChI
InChI=1S/C22H20N2O/c1-23(15-17-9-3-2-4-10-17)22(25)16-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-14H,15-16H2,1H3
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InChIKey
RWKVNMWWFYMFCH-UHFFFAOYSA-N
Physicochemical Property
logP
4.4531
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 155518977
ChEMBL ID
CHEMBL4447335
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 = 53 nM
   TI
   LI
   LO
   TS
2
Ki = 132 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  2
1
Ki = 53 nM
   TI
   LI
   LO
   TS
2
Ki = 132 nM
   TI
   LI
   LO
   TS