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Chemical structure of KOTX1

GC91929

KOTX1

Also known as 3-ethyl-N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide

KOTX1 is an inhibitor of aldehyde dehydrogenase 1A3 (ALDH1A3; IC50 = 5·14 nM)

ChemicalCAS1788963-83-6MW313.3FormulaC17H16FN3O2
CAS number
1788963-83-6
Molecular weight
313.3
Formula
C17H16FN3O2
Solubility
Acetonitrile： Slightly Soluble： 0·1–1 mg/ml,Water： Slightly Soluble： 0·1–1 mg/ml
InChIKey
QJJWNFKDFKNPEV-UHFFFAOYSA-N
Catalogue number
GC91929
Brand
GLPBIO
Computed properties PubChem CID 86801883 · XLogP 1.7 · TPSA 71.1 Ų · H-bond donors 2
XLogP
1.7
TPSA
71.1 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23

SMILES CCC1=C(C=CN=C1)C(=O)NC2=C(C=C3C(=C2)CCC(=O)N3)F

Computed descriptors from PubChem (CID 86801883), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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