COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562303
Chemical Name: (E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Smiles: C=CCOc1ccc(cc1)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1sc(nc1C)C)/[O-]

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Molecular Weight: 441.55
Empirical Formula: C23H27N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.368
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 115
Number of rings: 3

     

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