General Information of the Compound
Compound ID
CP0374222
Compound Name
N-[3-[(3-bromo-2-methylimidazo[1,2-a]pyridin-8-yl)oxymethyl]-2,4-dichlorophenyl]-N-methyl-2-[(2-phenoxyacetyl)amino]acetamide
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Structure
Formula
C26H23BrCl2N4O4
Molecular Weight
606.304
Canonical SMILES
CN(C(=O)CNC(=O)COc1ccccc1)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl
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InChI
InChI=1S/C26H23BrCl2N4O4/c1-16-25(27)33-12-6-9-21(26(33)31-16)37-14-18-19(28)10-11-20(24(18)29)32(2)23(35)13-30-22(34)15-36-17-7-4-3-5-8-17/h3-12H,13-15H2,1-2H3,(H,30,34)
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InChIKey
YPYSKXJQYNLKAJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.44902
Rotatable Bonds
9
Heavy Atom Count
37
Polar Areas
85.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
37

"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: 18923274
ChEMBL ID
CHEMBL130196
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: PT02392, B2 bradykinin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000052 A-431 Homo sapiens (Human)  1
1
IC50 = 510 nM
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