General Information of the Compound
Compound ID
CP0475938
Compound Name
2-[(2-methoxybenzoyl)amino]-N-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
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Structure
Formula
C23H19F3N2O3
Molecular Weight
428.41
Canonical SMILES
COc1ccccc1C(=O)Nc1ccccc1C(=O)N(C)c1cccc(c1)C(F)(F)F
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InChI
InChI=1S/C23H19F3N2O3/c1-28(16-9-7-8-15(14-16)23(24,25)26)22(30)17-10-3-5-12-19(17)27-21(29)18-11-4-6-13-20(18)31-2/h3-14H,1-2H3,(H,27,29)
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InChIKey
MEWLWAUKTRIWNA-UHFFFAOYSA-N
Physicochemical Property
logP
5.2429
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
58.64
Hydrogen Bond Donor Count
1
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).

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PubChem ID
CID: 56593313
ChEMBL ID
CHEMBL3718895
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 = 29700 nM
   TI
   LI
   LO
   TS
2
EC50 = 29700 nM
   TI
   LI
   LO
   TS