COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046781
Chemical Name: (E)-{1-[3-(dimethylammonio)propyl]-2-(4-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}(2,4-dimethyl-1,3-thiazol-5-yl)methanolate
Smiles: Cc1sc(c(n1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)[N+](=O)[O-])CCC[NH+](C)C)/[O-]

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Molecular Weight: 444.51
Empirical Formula: C21H24N4O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.501
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 151
Number of rings: 3

     

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