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Chemical structure of SERT-IN-2

GC69880

SERT-IN-2

Also known as 3-[3-[4-[5-(2,4-difluorophenyl)pyrimidin-2-yl]piperazin-1-yl]propyl]-1H-indole-5-carbonitrile

SERT-IN-2 is a potent SERT inhibitor (IC50=0·58 nM) with antidepressant activity· It has good bioavailability, with an F(%) of 83·28% in rats· SERT-IN-2 can cross the blood-brain barrier

ChemicalCAS2055228-33-4MW458.51FormulaC26H24F2N6
CAS number
2055228-33-4
Molecular weight
458.51
Formula
C26H24F2N6
Solubility
DMSO ： 200 mg/mL (436·20 mM; Need ultrasonic)
InChIKey
MONCKXMZFAXBAZ-UHFFFAOYSA-N
Catalogue number
GC69880
Brand
GLPBIO
Computed properties PubChem CID 124121272 · XLogP 4.5 · TPSA 71.8 Ų · H-bond donors 1
XLogP
4.5
TPSA
71.8 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
34

SMILES C1CN(CCN1CCCC2=CNC3=C2C=C(C=C3)C#N)C4=NC=C(C=N4)C5=C(C=C(C=C5)F)F

Computed descriptors from PubChem (CID 124121272), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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