General Information of the Compound
Compound ID
CP0444585
Compound Name
2-carbazol-9-yl-N,N-dimethylacetamide
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Structure
Formula
C16H16N2O
Molecular Weight
252.317
Canonical SMILES
CN(C)C(=O)Cn1c2ccccc2c2ccccc12
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InChI
InChI=1S/C16H16N2O/c1-17(2)16(19)11-18-14-9-5-3-7-12(14)13-8-4-6-10-15(13)18/h3-10H,11H2,1-2H3
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InChIKey
HLIZEAZXGXRHKD-UHFFFAOYSA-N
Physicochemical Property
logP
2.8827
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 155522433
ChEMBL ID
CHEMBL4451744
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
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS