General Information of the Compound
Compound ID
CP0443667
Compound Name
N-(9-ethylcarbazol-3-yl)-2-(trifluoromethyl)benzamide
    Show/Hide
Structure
Formula
C22H17F3N2O
Molecular Weight
382.385
Canonical SMILES
CCn1c2ccccc2c2cc(NC(=O)c3ccccc3C(F)(F)F)ccc12
    Show/Hide
InChI
InChI=1S/C22H17F3N2O/c1-2-27-19-10-6-4-7-15(19)17-13-14(11-12-20(17)27)26-21(28)16-8-3-5-9-18(16)22(23,24)25/h3-13H,2H2,1H3,(H,26,28)
    Show/Hide
InChIKey
GHLDHBQXNPNZEI-UHFFFAOYSA-N
Physicochemical Property
logP
6.0855
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
34.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 15940274
SID: 22391644
ChEMBL ID
CHEMBL3604190
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: PT02025, Prostaglandin E synthase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 60 nM
   TI
   LI
   LO
   TS