General Information of the Compound
Compound ID
CP0953611
Compound Name
N-[2-[4-(Benzyloxy)phenyl]-1-(1H-tetrazol-5-yl)ethyl]-6-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carboxamide
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Structure
Formula
C30H24ClN7O2
Molecular Weight
550.022
Canonical SMILES
O=C(NC(Cc1ccc(OCc2ccccc2)cc1)c1nnn[nH]1)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
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InChI
InChI=1S/C30H24ClN7O2/c31-24-11-8-22(9-12-24)23-10-15-28-32-27(18-38(28)17-23)30(39)33-26(29-34-36-37-35-29)16-20-6-13-25(14-7-20)40-19-21-4-2-1-3-5-21/h1-15,17-18,26H,16,19H2,(H,33,39)(H,34,35,36,37)
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InChIKey
RSPXBYVZDFZHKB-UHFFFAOYSA-N
Physicochemical Property
logP
5.4606
Rotatable Bonds
9
Heavy Atom Count
40
Polar Areas
110.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
40

"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: 59335673
ChEMBL ID
CHEMBL3717705
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: PT06254, Probable G-protein coupled receptor 34
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 <= 1000 nM
   TI
   LI
   LO
   TS