COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563525
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Smiles: C[NH+](CCN1C(c2cccc(c2)F)/C(=C(/c2sc(nc2C)C)\[O-])/C(=O)C1=O)C

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Molecular Weight: 403.48
Empirical Formula: C20H22FN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.698
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 106
Number of rings: 3

     

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