General Information of the Compound
Compound ID
CP0177109
Compound Name
4-[4-(2-methylpyrazol-3-yl)phenoxy]furo[3,2-c]pyridine
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Structure
Formula
C17H13N3O2
Molecular Weight
291.31
Canonical SMILES
Cn1nccc1-c1ccc(Oc2nccc3occc23)cc1
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InChI
InChI=1S/C17H13N3O2/c1-20-15(6-10-19-20)12-2-4-13(5-3-12)22-17-14-8-11-21-16(14)7-9-18-17/h2-11H,1H3
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InChIKey
ZYVVTSUQLCQHJC-UHFFFAOYSA-N
Physicochemical Property
logP
4.0206
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
53.08
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 145979741
ChEMBL ID
CHEMBL4282096
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: PT01195, D(1A) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 2293 nM
   TI
   LI
   LO
   TS
CL000041 LTK- Mus musculus (Mouse)  1
1
Ki = 2242 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 2519 nM