General Information of the Compound
Compound ID
CP0504192
Compound Name
1-benzyl-N-[2-[(4-carbamoylphenyl)methyl-methylamino]-2-oxoethyl]benzimidazole-2-carboxamide
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Structure
Formula
C26H25N5O3
Molecular Weight
455.518
Canonical SMILES
CN(Cc1ccc(cc1)C(N)=O)C(=O)CNC(=O)c1nc2ccccc2n1Cc1ccccc1
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InChI
InChI=1S/C26H25N5O3/c1-30(16-19-11-13-20(14-12-19)24(27)33)23(32)15-28-26(34)25-29-21-9-5-6-10-22(21)31(25)17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H2,27,33)(H,28,34)
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InChIKey
YUELRGJVGWBTOM-UHFFFAOYSA-N
Physicochemical Property
logP
2.5719
Rotatable Bonds
8
Heavy Atom Count
34
Polar Areas
110.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 44579928
ChEMBL ID
CHEMBL483457
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: PT06059, B1 bradykinin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 5000 nM
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