General Information of the Compound
Compound ID
CP0444592
Compound Name
N-benzyl-2-carbazol-9-ylacetamide
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Structure
Formula
C21H18N2O
Molecular Weight
314.388
Canonical SMILES
O=C(Cn1c2ccccc2c2ccccc12)NCc1ccccc1
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InChI
InChI=1S/C21H18N2O/c24-21(22-14-16-8-2-1-3-9-16)15-23-19-12-6-4-10-17(19)18-11-5-7-13-20(18)23/h1-13H,14-15H2,(H,22,24)
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InChIKey
JLQWGWFPMLKAGU-UHFFFAOYSA-N
Physicochemical Property
logP
4.1109
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
34.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 155555425
ChEMBL ID
CHEMBL4554031
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