General Information of the Compound
Compound ID
CP0530830
Compound Name
4-(2-fluoro-4-furo[3,2-c]pyridin-4-yloxyphenyl)-3,5-dimethyl-1H-pyridazin-6-one
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Structure
Formula
C19H14FN3O3
Molecular Weight
351.337
Canonical SMILES
Cc1n[nH]c(=O)c(C)c1-c1ccc(Oc2nccc3occc23)cc1F
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InChI
InChI=1S/C19H14FN3O3/c1-10-17(11(2)22-23-18(10)24)13-4-3-12(9-15(13)20)26-19-14-6-8-25-16(14)5-7-21-19/h3-9H,1-2H3,(H,23,24)
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InChIKey
YODCDZCSGNUYOR-UHFFFAOYSA-N
Physicochemical Property
logP
4.12634
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
81.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 75201899
ChEMBL ID
CHEMBL4469983
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
CL000006 HEK293 Homo sapiens (Human)  3
1
EC50 = 10 nM
   TI
   LI
   LO
   TS
2
EC50 = 490 nM
   TI
   LI
   LO
   TS
3
Ki = 51 nM
   TI
   LI
   LO
   TS