General Information of the Compound
Compound ID
CP0896626
Compound Name
N-(2-(3-(trifluoromethyl)phenylcarbamoyl)phenyl)-1H-benzo[d]imidazole-7-carboxamide
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Structure
Formula
C22H15F3N4O2
Molecular Weight
424.382
Canonical SMILES
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NC(=O)c1cccc2nc[nH]c12
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InChI
InChI=1S/C22H15F3N4O2/c23-22(24,25)13-5-3-6-14(11-13)28-20(30)15-7-1-2-9-17(15)29-21(31)16-8-4-10-18-19(16)27-12-26-18/h1-12H,(H,26,27)(H,28,30)(H,29,31)
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InChIKey
AZCSFLKUENJDTO-UHFFFAOYSA-N
Physicochemical Property
logP
5.0863
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
86.88
Hydrogen Bond Donor Count
3
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: 118037864
ChEMBL ID
CHEMBL3715676
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 = 11800 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 29700 nM
   TI
   LI
   LO
   TS