COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK616602
Chemical Name: (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[(1,1-dioxido-2,3-dihydrothiophen-3-yl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione
Smiles: COc1cc(CCN2C(=NC(=O)/C(=C\NC3C=CS(=O)(=O)C3)/C2=O)S)ccc1OC

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Molecular Weight: 451.52
Empirical Formula: C19H21N3O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.723
Rotatable bonds: 7
H-donors: 1
H-acceptors: 6
PSA: 161
Number of rings: 3

     

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