General Information of the Compound
Compound ID
CP0384632
Compound Name
N-cyclopentyl-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
C26H25N5O
Molecular Weight
423.52
Canonical SMILES
Cc1cc(ccc1-c1c(C)ncc2nccn12)N(C1CCCC1)c1nccc2occc12
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InChI
InChI=1S/C26H25N5O/c1-17-15-20(7-8-21(17)25-18(2)29-16-24-27-12-13-30(24)25)31(19-5-3-4-6-19)26-22-10-14-32-23(22)9-11-28-26/h7-16,19H,3-6H2,1-2H3
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InChIKey
RQILOYKDXOGAOZ-UHFFFAOYSA-N
Physicochemical Property
logP
6.23504
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
59.46
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
32

"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: 146025709
ChEMBL ID
CHEMBL4556763
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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