COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561253
Chemical Name: (E)-{2-(3,4-dimethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Smiles: COc1ccc(cc1OC)C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1sc(nc1C)C)/[O-]

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Molecular Weight: 445.54
Empirical Formula: C22H27N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.384
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 124
Number of rings: 3

     

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