General Information of the Compound
Compound ID
CP0522121
Compound Name
4-((5-cyclohexyl-3-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)-N-(2H-tetrazol-5-yl)benzamide
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Structure
Formula
C25H24F3N7O2
Molecular Weight
511.508
Canonical SMILES
FC(F)(F)Oc1ccc(cc1)-c1cc(C2CCCCC2)n(Cc2ccc(cc2)C(=O)Nc2nnn[nH]2)n1
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InChI
InChI=1S/C25H24F3N7O2/c26-25(27,28)37-20-12-10-17(11-13-20)21-14-22(18-4-2-1-3-5-18)35(32-21)15-16-6-8-19(9-7-16)23(36)29-24-30-33-34-31-24/h6-14,18H,1-5,15H2,(H2,29,30,31,33,34,36)
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InChIKey
WQWMRDGYOCXAEA-UHFFFAOYSA-N
Physicochemical Property
logP
5.3101
Rotatable Bonds
7
Heavy Atom Count
37
Polar Areas
110.61
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 10324097
SID: 15333613
ChEMBL ID
CHEMBL1643955
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: PT02242, Gastric inhibitory polypeptide receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2100 nM
   TI
   LI
   LO
   TS
Protein ID: PT01473, Glucagon receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
IC50 = 120 nM
   TI
   LI
   LO
   TS
2
IC50 = 160 nM
   TI
   LI
   LO
   TS