General Information of the Compound
Compound ID
CP0454588
Compound Name
4-(N-Isopropyl-ureido)-8-methoxy-3-methyl-1-propyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
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Structure
Formula
C18H24N6O2
Molecular Weight
356.43
Canonical SMILES
CCCc1nc(C)c2c(NC(=O)NC(C)C)nc3ccc(OC)nc3n12
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InChI
InChI=1S/C18H24N6O2/c1-6-7-13-20-11(4)15-16(23-18(25)19-10(2)3)21-12-8-9-14(26-5)22-17(12)24(13)15/h8-10H,6-7H2,1-5H3,(H2,19,21,23,25)
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InChIKey
RZPUOVCDHIQAQM-UHFFFAOYSA-N
Physicochemical Property
logP
3.07692
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
93.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 24803384
SID: 49749519
ChEMBL ID
CHEMBL1085373
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 = 381 nM
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