General Information of the Compound
Compound ID
CP0384644
Compound Name
N-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenyl]furo[3,2-c]pyridin-4-amine
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Structure
Formula
C21H17N5O
Molecular Weight
355.401
Canonical SMILES
Cc1cc(Nc2nccc3occc23)ccc1-c1c(C)ncc2nccn12
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InChI
InChI=1S/C21H17N5O/c1-13-11-15(25-21-17-6-10-27-18(17)5-7-23-21)3-4-16(13)20-14(2)24-12-19-22-8-9-26(19)20/h3-12H,1-2H3,(H,23,25)
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InChIKey
GNZMEDWGRFHELH-UHFFFAOYSA-N
Physicochemical Property
logP
4.89794
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
68.25
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: 146025704
ChEMBL ID
CHEMBL4475848
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 > 10000 nM
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