General Information of the Compound
Compound ID
CP0463320
Compound Name
8-Methoxy-4-(methoxycarbonyl-methyl-amino)-3-methyl-1-propyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C17H21N5O3
Molecular Weight
343.387
Canonical SMILES
CCCc1nc(C)c2c(nc3ccc(OC)nc3n12)N(C)C(=O)OC
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InChI
InChI=1S/C17H21N5O3/c1-6-7-12-18-10(2)14-16(21(3)17(23)25-5)19-11-8-9-13(24-4)20-15(11)22(12)14/h8-9H,6-7H2,1-5H3
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InChIKey
ZRRFTWBRZKCVAY-UHFFFAOYSA-N
Physicochemical Property
logP
2.74962
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
81.85
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
25

"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: 46831672
SID: 99209470
ChEMBL ID
CHEMBL1083460
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 = 486 nM
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