General Information of the Compound
Compound ID
CP0505521
Compound Name
8-Methoxy-3-methyl-4-(3-phenyl-propoxy)-1-propyl-imidazo-[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C23H26N4O2
Molecular Weight
390.487
Canonical SMILES
CCCc1nc(C)c2c(OCCCc3ccccc3)nc3ccc(OC)nc3n12
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InChI
InChI=1S/C23H26N4O2/c1-4-9-19-24-16(2)21-23(29-15-8-12-17-10-6-5-7-11-17)25-18-13-14-20(28-3)26-22(18)27(19)21/h5-7,10-11,13-14H,4,8-9,12,15H2,1-3H3
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InChIKey
YTHBIMNEJCMPJN-UHFFFAOYSA-N
Physicochemical Property
logP
4.55862
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
61.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 24805030
SID: 49751215
ChEMBL ID
CHEMBL1085039
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 = 962 nM
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