General Information of the Compound
Compound ID
CP0458218
Compound Name
2-carbazol-9-yl-N-ethyl-N-[(3-methoxyphenyl)methyl]acetamide
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Structure
Formula
C24H24N2O2
Molecular Weight
372.468
Canonical SMILES
CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2ccccc12
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InChI
InChI=1S/C24H24N2O2/c1-3-25(16-18-9-8-10-19(15-18)28-2)24(27)17-26-22-13-6-4-11-20(22)21-12-5-7-14-23(21)26/h4-15H,3,16-17H2,1-2H3
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InChIKey
WDZXMBZCIHQEMM-UHFFFAOYSA-N
Physicochemical Property
logP
4.8518
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
34.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 155513663
ChEMBL ID
CHEMBL4439049
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)  4
1
Ki = 96.1 nM
   TI
   LI
   LO
   TS
2
Ki = 100.4 nM
   TI
   LI
   LO
   TS
3
Ki = 217.3 nM
   TI
   LI
   LO
   TS
4
Ki = 277 nM
   TI
   LI
   LO
   TS