COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046745
Chemical Name: (E)-[2-(3-bromophenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene](thiophen-2-yl)methanolate
Smiles: Brc1cccc(c1)C1N(Cc2ccc[nH+]c2)C(=O)C(=O)/C/1=C(\c1cccs1)/[O-]

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Molecular Weight: 455.33
Empirical Formula: C21H15BrN2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.984
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 102
Number of rings: 4

     

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