General Information of the Compound
Compound ID
CP0470226
Compound Name
2-(2-methoxyethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
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Structure
Formula
C17H17F3N2O2
Molecular Weight
338.329
Canonical SMILES
COCCNc1ccccc1C(=O)Nc1cccc(c1)C(F)(F)F
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InChI
InChI=1S/C17H17F3N2O2/c1-24-10-9-21-15-8-3-2-7-14(15)16(23)22-13-6-4-5-12(11-13)17(18,19)20/h2-8,11,21H,9-10H2,1H3,(H,22,23)
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InChIKey
GGPKGBYGOWNVIC-UHFFFAOYSA-N
Physicochemical Property
logP
4.016
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
50.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 56593302
ChEMBL ID
CHEMBL3715266
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 = 59300 nM
   TI
   LI
   LO
   TS
2
EC50 = 59300 nM
   TI
   LI
   LO
   TS