COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148248
Chemical Name: (E)-(2,4-dimethyl-1,3-thiazol-5-yl){1-[2-(morpholin-4-ium-4-yl)ethyl]-2-(3-nitrophenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Smiles: Cc1nc(c(s1)/C(=C\1/C(c2cccc(c2)[N+](=O)[O-])N(C(=O)C1=O)CC[NH+]1CCOCC1)/[O-])C

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Molecular Weight: 472.52
Empirical Formula: C22H24N4O6S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.983
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 161
Number of rings: 4

     

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