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Chemical structure of 5-HT3 antagonist 1

GC31263

5-HT3 antagonist 1

Also known as N-[1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-6-yl]-1H-indazole-3-carboxamide

5-HT3 antagonist 1 is a potent and selective antagonist of serotonin 3 (5-HT3) receptor

ChemicalCAS129294-09-3MW377.48FormulaC22H27N5O
CAS number
129294-09-3
Molecular weight
377.48
Formula
C22H27N5O
Solubility
Soluble in DMSO
InChIKey
KDCVCMJTEQZMEL-UHFFFAOYSA-N
Catalogue number
GC31263
Brand
GLPBIO
Computed properties PubChem CID 10407256 · XLogP 2.9 · TPSA 64.3 Ų · H-bond donors 2
XLogP
2.9
TPSA
64.3 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28

SMILES CC1=CC(=CC=C1)CN2CCN(CC(C2)NC(=O)C3=NNC4=CC=CC=C43)C

Computed descriptors from PubChem (CID 10407256), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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