General Information of the Compound
Compound ID
CP0471807
Compound Name
2-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
    Show/Hide
Structure
Formula
C23H19F3N2O3
Molecular Weight
428.41
Canonical SMILES
CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
    Show/Hide
InChI
InChI=1S/C23H19F3N2O3/c1-2-31-20-13-6-4-11-18(20)22(30)28-19-12-5-3-10-17(19)21(29)27-16-9-7-8-15(14-16)23(24,25)26/h3-14H,2H2,1H3,(H,27,29)(H,28,30)
    Show/Hide
InChIKey
HMUUFDCCBCUQAV-UHFFFAOYSA-N
Physicochemical Property
logP
5.6087
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
67.43
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 56593335
ChEMBL ID
CHEMBL3717089
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: PT05999, Relaxin receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
AC50 = 265 nM
   TI
   LI
   LO
   TS
2
EC50 = 265 nM
   TI
   LI
   LO
   TS
CL000040 THP-1 Homo sapiens (Human)  1
1
EC50 = 471.1 nM
   TI
   LI
   LO
   TS