COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565170
Chemical Name: (E)-{2-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(thiophen-2-yl)methanolate
Smiles: COc1ccc(cc1C1N(CCCn2c[nH+]cc2)C(=O)C(=O)/C/1=C(\c1cccs1)/[O-])OC

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Molecular Weight: 453.52
Empirical Formula: C23H23N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.852
Rotatable bonds: 8
H-donors: 1
H-acceptors: 5
PSA: 126
Number of rings: 4

     

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