General Information of the Compound
Compound ID
CP0444588
Compound Name
N-[(4-acetamidophenyl)methyl]-2-carbazol-9-yl-N-ethylacetamide
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Structure
Formula
C25H25N3O2
Molecular Weight
399.494
Canonical SMILES
CCN(Cc1ccc(NC(C)=O)cc1)C(=O)Cn1c2ccccc2c2ccccc12
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InChI
InChI=1S/C25H25N3O2/c1-3-27(16-19-12-14-20(15-13-19)26-18(2)29)25(30)17-28-23-10-6-4-8-21(23)22-9-5-7-11-24(22)28/h4-15H,3,16-17H2,1-2H3,(H,26,29)
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InChIKey
VYESHCDKCLVLGW-UHFFFAOYSA-N
Physicochemical Property
logP
4.8016
Rotatable Bonds
6
Heavy Atom Count
30
Polar Areas
54.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
30

"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: 155562523
ChEMBL ID
CHEMBL4571475
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