General Information of the Compound
Compound ID
CP0463329
Compound Name
8-Difluoromethoxy-3,4-dimethyl-1-propyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C15H16F2N4O
Molecular Weight
306.316
Canonical SMILES
CCCc1nc(C)c2c(C)nc3ccc(OC(F)F)nc3n12
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InChI
InChI=1S/C15H16F2N4O/c1-4-5-11-19-9(3)13-8(2)18-10-6-7-12(22-15(16)17)20-14(10)21(11)13/h6-7,15H,4-5H2,1-3H3
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InChIKey
NEIMIIAEFGYPPD-UHFFFAOYSA-N
Physicochemical Property
logP
3.44824
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
52.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 24803051
SID: 49749191
ChEMBL ID
CHEMBL1085404
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 = 13.2 nM
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