General Information of the Compound
Compound ID
CP0463322
Compound Name
8-Methoxy-3-methyl-4-propylsulfonylamino-1-propyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C17H23N5O3S
Molecular Weight
377.47
Canonical SMILES
CCCc1nc(C)c2c(NS(=O)(=O)CCC)nc3ccc(OC)nc3n12
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InChI
InChI=1S/C17H23N5O3S/c1-5-7-13-18-11(3)15-16(21-26(23,24)10-6-2)19-12-8-9-14(25-4)20-17(12)22(13)15/h8-9H,5-7,10H2,1-4H3,(H,19,21)
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InChIKey
FBEXNBCUXGNZPP-UHFFFAOYSA-N
Physicochemical Property
logP
2.69872
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
98.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 24803389
SID: 49749524
ChEMBL ID
CHEMBL1085376
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 = 617 nM
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