COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560446
Chemical Name: (E)-{2-(3-bromophenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Smiles: C[NH+](CCN1C(c2cccc(c2)Br)/C(=C(/c2sc(nc2C)C)\[O-])/C(=O)C1=O)C

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Molecular Weight: 464.38
Empirical Formula: C20H22BrN3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.418
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 106
Number of rings: 3

     

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