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Chemical structure of PDE2/PDE10-IN-1

GC34705

PDE2/PDE10-IN-1

Also known as 3-(2-chlorophenyl)-7-methyl-2,4,5,8,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene

PDE2/PDE10-IN-1 is a phosphodiesterase 2 (PDE2) and PDE10 inhibitor with IC50s of 29 and 480 nM, respectively

ChemicalCAS1426833-08-0MW295.73FormulaC15H10ClN5
CAS number
1426833-08-0
Molecular weight
295.73
Formula
C15H10ClN5
Solubility
DMSO ： 12·5 mg/mL (42·27 mM; ultrasonic and warming and heat to 60°C)
InChIKey
SNQXTEAQGLZIDL-UHFFFAOYSA-N
Catalogue number
GC34705
Brand
GLPBIO
Computed properties PubChem CID 71295299 · XLogP 3.2 · TPSA 56 Ų · H-bond donors 0
XLogP
3.2
TPSA
56 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
21

SMILES CC1=NC2=C(C=NC=C2)N3C1=NN=C3C4=CC=CC=C4Cl

Computed descriptors from PubChem (CID 71295299), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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