COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566105
Chemical Name: (E)-{1-[2-(diethylammonio)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Smiles: CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2sc(nc2C)C)/[O-])/C1c1cccc(c1)[N+](=O)[O-])CC

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Molecular Weight: 458.54
Empirical Formula: C22H26N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.44
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 151
Number of rings: 3

     

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