General Information of the Compound
Compound ID
CP0468910
Compound Name
6-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-1,5-dimethylpyrimidine-2,4-dione
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Structure
Formula
C20H17N3O4
Molecular Weight
363.373
Canonical SMILES
Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
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InChI
InChI=1S/C20H17N3O4/c1-11-10-13(27-19-15-7-9-26-16(15)6-8-21-19)4-5-14(11)17-12(2)18(24)22-20(25)23(17)3/h4-10H,1-3H3,(H,22,24,25)
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InChIKey
CKMFOKUQUOYIOR-UHFFFAOYSA-N
Physicochemical Property
logP
3.29094
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
90.12
Hydrogen Bond Donor Count
1
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: 75202022
ChEMBL ID
CHEMBL4453318
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 = 0.3 nM
   TI
   LI
   LO
   TS
2
EC50 = 35 nM
   TI
   LI
   LO
   TS
3
Ki = 2.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT01169, D(1B) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 4.4 nM
   TI
   LI
   LO
   TS