General Information of the Compound
Compound ID
CP0537696
Compound Name
6-(1-furo[3,2-c]pyridin-4-yl-4-methyl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione
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Structure
Formula
C22H20N4O3
Molecular Weight
388.427
Canonical SMILES
Cc1c2CCN(c2ccc1-c1c(C)c(=O)[nH]c(=O)n1C)c1nccc2occc12
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InChI
InChI=1S/C22H20N4O3/c1-12-14-7-10-26(20-16-8-11-29-18(16)6-9-23-20)17(14)5-4-15(12)19-13(2)21(27)24-22(28)25(19)3/h4-6,8-9,11H,7,10H2,1-3H3,(H,24,27,28)
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InChIKey
DMKPXRAODPTVHD-UHFFFAOYSA-N
Physicochemical Property
logP
3.19284
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
84.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 155537335
ChEMBL ID
CHEMBL4475239
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)  1
1
EC50 = 360 nM
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