COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565715
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}{4-[(2-methylbenzyl)oxy]phenyl}methanolate
Smiles: O=C1C(=O)/C(=C(\c2ccc(cc2)OCc2ccccc2C)/[O-])/C(N1CCCn1c[nH+]cc1)c1cccs1

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Molecular Weight: 513.62
Empirical Formula: C29H27N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.894
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 5

     

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