General Information of the Compound
Compound ID
CP0375983
Compound Name
2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
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Structure
Formula
C14H16N2O
Molecular Weight
228.295
Canonical SMILES
COc1cccc(c1)-c1cc2CCCCn2n1
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InChI
InChI=1S/C14H16N2O/c1-17-13-7-4-5-11(9-13)14-10-12-6-2-3-8-16(12)15-14/h4-5,7,9-10H,2-3,6,8H2,1H3
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InChIKey
YKHWNHMQBJJLCJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.895
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
27.05
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 71814124
ChEMBL ID
CHEMBL2408179
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
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4503 nM
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