General Information of the Compound
Compound ID
CP0571901
Compound Name
6-(1-furo[3,2-c]pyridin-4-yl-2,3-dihydroindol-5-yl)-1,5-dimethylpyrimidine-2,4-dione
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Structure
Formula
C21H18N4O3
Molecular Weight
374.4
Canonical SMILES
Cc1c(-c2ccc3N(CCc3c2)c2nccc3occc23)n(C)c(=O)[nH]c1=O
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InChI
InChI=1S/C21H18N4O3/c1-12-18(24(2)21(27)23-20(12)26)14-3-4-16-13(11-14)6-9-25(16)19-15-7-10-28-17(15)5-8-22-19/h3-5,7-8,10-11H,6,9H2,1-2H3,(H,23,26,27)
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InChIKey
RUVXSTRYCQUZGY-UHFFFAOYSA-N
Physicochemical Property
logP
2.88442
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
84.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 155521159
ChEMBL ID
CHEMBL4449782
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 = 410 nM
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