General Information of the Compound
Compound ID
CP0458214
Compound Name
2-carbazol-9-yl-N-ethyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
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Structure
Formula
C24H21F3N2O
Molecular Weight
410.439
Canonical SMILES
CCN(Cc1ccc(cc1)C(F)(F)F)C(=O)Cn1c2ccccc2c2ccccc12
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InChI
InChI=1S/C24H21F3N2O/c1-2-28(15-17-11-13-18(14-12-17)24(25,26)27)23(30)16-29-21-9-5-3-7-19(21)20-8-4-6-10-22(20)29/h3-14H,2,15-16H2,1H3
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InChIKey
HGHLANCPLBXYNS-UHFFFAOYSA-N
Physicochemical Property
logP
5.862
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 155526804
ChEMBL ID
CHEMBL4458416
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