General Information of the Compound
Compound ID
CP0458215
Compound Name
2-carbazol-9-yl-N-ethyl-N-(pyridin-4-ylmethyl)acetamide
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Structure
Formula
C22H21N3O
Molecular Weight
343.43
Canonical SMILES
CCN(Cc1ccncc1)C(=O)Cn1c2ccccc2c2ccccc12
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InChI
InChI=1S/C22H21N3O/c1-2-24(15-17-11-13-23-14-12-17)22(26)16-25-20-9-5-3-7-18(20)19-8-4-6-10-21(19)25/h3-14H,2,15-16H2,1H3
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InChIKey
LCFCFGOQUREVSN-UHFFFAOYSA-N
Physicochemical Property
logP
4.2382
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
38.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 155527848
ChEMBL ID
CHEMBL4460152
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)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS