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Chemical structure of YMU1

GC18677

YMU1

Also known as ethyl 4-[2-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetyl]piperazine-1-carboxylate

A thymidylate kinase inhibitor

ChemicalCAS902589-96-2MW378.5FormulaC17H22N4O4S
CAS number
902589-96-2
Molecular weight
378.5
Formula
C17H22N4O4S
Solubility
Chloroform: 30 mg/ml,DMF: 0·30 mg/mL
InChIKey
XXUFNNVFZFVKGP-UHFFFAOYSA-N
Catalogue number
GC18677
Brand
GLPBIO
Computed properties PubChem CID 49878590 · XLogP 1.1 · TPSA 108 Ų · H-bond donors 0
XLogP
1.1
TPSA
108 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
26

SMILES CCOC(=O)N1CCN(CC1)C(=O)CN2C(=O)C3=C(S2)N=C(C=C3C)C

Computed descriptors from PubChem (CID 49878590), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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