General Information of the Compound
Compound ID
CP0923205
Compound Name
2-(trifluoromethyl)-N-(2-(3-(trifluoromethyl)phenylcarbamoyl)phenyl)benzamide
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Structure
Formula
C22H14F6N2O2
Molecular Weight
452.354
Canonical SMILES
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1ccccc1C(F)(F)F
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InChI
InChI=1S/C22H14F6N2O2/c23-21(24,25)13-6-5-7-14(12-13)29-20(32)16-9-2-4-11-18(16)30-19(31)15-8-1-3-10-17(15)22(26,27)28/h1-12H,(H,29,32)(H,30,31)
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InChIKey
VVGZQBDOVNNLNG-UHFFFAOYSA-N
Physicochemical Property
logP
6.2288
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
58.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
32

"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: 90011087
ChEMBL ID
CHEMBL3716990
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)  1
1
AC50 = 7470 nM
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