COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK081560
Chemical Name: (2Z)-2-{3-bromo-4-[(4-nitrobenzyl)oxy]benzylidene}-1-benzothiophen-3(2H)-one
Smiles: Brc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C/1\Sc2c(C1=O)cccc2

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Molecular Weight: 468.33
Empirical Formula: C22H14BrNO4S

Physical State: Dry powder
Available Amount: 111 mg

Lipinsky:
logP: 5.67
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 97
Number of rings: 4

     

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