General Information of the Compound
Compound ID
CP0569434
Compound Name
2-[[4-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoropyrimidin-4-yl]piperidin-1-yl]methyl]-1-methylbenzimidazole
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Structure
Formula
C25H24ClF2N5O
Molecular Weight
483.95
Canonical SMILES
Cn1c(CN2CCC(CC2)c2nc(OCc3ccc(Cl)cc3F)ncc2F)nc2ccccc12
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InChI
InChI=1S/C25H24ClF2N5O/c1-32-22-5-3-2-4-21(22)30-23(32)14-33-10-8-16(9-11-33)24-20(28)13-29-25(31-24)34-15-17-6-7-18(26)12-19(17)27/h2-7,12-13,16H,8-11,14-15H2,1H3
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InChIKey
FCFRZXHZSYIILV-UHFFFAOYSA-N
Physicochemical Property
logP
5.2535
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
56.07
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 168295879
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: PT01356, Glucagon-like peptide 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 > 20000 nM
   TI
   LI
   LO
   TS
2
EC50 > 9900 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 > 20000 nM
   TI
   LI
   LO
   TS