COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566274
Chemical Name: (E)-(2,4-dimethyl-1,3-thiazol-5-yl)[2-(3-nitrophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Smiles: Cc1sc(c(n1)C)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)[N+](=O)[O-])Cc1ccc[nH+]c1)/[O-]

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Molecular Weight: 450.47
Empirical Formula: C22H18N4O5S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.47
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 161
Number of rings: 4

     

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