COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565217
Chemical Name: (E)-{2-(2,5-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Smiles: COc1ccc(c(c1)C1N(CCC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1sc(nc1C)C)/[O-])OC

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Molecular Weight: 459.57
Empirical Formula: C23H29N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.652
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 124
Number of rings: 3

     

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