General Information of the Compound
Compound ID
CP0318736
Compound Name
(7R)-2-[(5-chloropyridin-2-yl)oxymethyl]-5-(5-fluoropyridin-2-yl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
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Structure
Formula
C18H15ClFN5O2
Molecular Weight
387.802
Canonical SMILES
C[C@@H]1CN(C(=O)c2cc(COc3ccc(Cl)cn3)nn12)c1ccc(F)cn1
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InChI
InChI=1S/C18H15ClFN5O2/c1-11-9-24(16-4-3-13(20)8-21-16)18(26)15-6-14(23-25(11)15)10-27-17-5-2-12(19)7-22-17/h2-8,11H,9-10H2,1H3/t11-/m1/s1
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InChIKey
FGVQJXXTURXJIB-LLVKDONJSA-N
Physicochemical Property
logP
3.266
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
73.14
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 122190431
ChEMBL ID
CHEMBL3617654
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: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS