COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK566262
Chemical Name: (E)-{1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxo-2-(thiophen-2-yl)pyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Smiles: COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1cccs1)CCCn1cc[nH+]c1)/[O-]

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Molecular Weight: 423.49
Empirical Formula: C22H21N3O4S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 2.809
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 116
Number of rings: 4

     

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