COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563716
Chemical Name: (E)-[2-(4-methylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](thiophen-2-yl)methanolate
Smiles: Cc1ccc(cc1)C1/C(=C(/c2cccs2)\[O-])/C(=O)C(=O)N1Cc1ccc[nH+]c1

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Molecular Weight: 390.46
Empirical Formula: C22H18N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.672
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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