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Chemical structure of MAO-A/5-HT2AR-IN-1

GC71160

MAO-A/5-HT2AR-IN-1

Also known as 11-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one

MAO-A/5-HT2AR-IN-1 (compound I14) is a potent MAO-A and 5-HT2AR dual inhibitor, with IC50 values of 0·004 and 0·014 μM, respectively

ChemicalCAS2769156-00-3MW481.56FormulaC30H28FN3O2
CAS number
2769156-00-3
Molecular weight
481.56
Formula
C30H28FN3O2
InChIKey
GWRCLKVKZRBZJA-UHFFFAOYSA-N
Catalogue number
GC71160
Brand
GLPBIO
Computed properties PubChem CID 165413027 · XLogP 5.7 · TPSA 45.7 Ų · H-bond donors 0
XLogP
5.7
TPSA
45.7 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
36

SMILES C1CN(CCN1CCCCOC2=CC3=C4C(=C2)C=CN=C4C5=CC=CC=C5C3=O)C6=CC=CC=C6F

Computed descriptors from PubChem (CID 165413027), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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