General Information of the Compound
Compound ID
CP0505524
Compound Name
8-Methoxy-3-methoxycarbonyl-4-methyl-1-propyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C16H18N4O3
Molecular Weight
314.345
Canonical SMILES
CCCc1nc(C(=O)OC)c2c(C)nc3ccc(OC)nc3n12
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InChI
InChI=1S/C16H18N4O3/c1-5-6-11-18-13(16(21)23-4)14-9(2)17-10-7-8-12(22-3)19-15(10)20(11)14/h7-8H,5-6H2,1-4H3
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InChIKey
KXEVABNCLBUGEV-UHFFFAOYSA-N
Physicochemical Property
logP
2.33362
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
78.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
23

"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: 46831934
SID: 99209771
ChEMBL ID
CHEMBL1082825
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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 285 nM
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