COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038578
Chemical Name: (E)-{2-(4-tert-butylphenyl)-1-[3-(diethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Smiles: CC[NH+](CCCN1C(=O)C(=O)/C(=C(\c2sc(nc2C)C)/[O-])/C1c1ccc(cc1)C(C)(C)C)CC

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Molecular Weight: 483.68
Empirical Formula: C27H37N3O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.522
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 106
Number of rings: 3

     

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