COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL368461
Chemical Name: (2Z)-2-{3-[(4-nitrobenzyl)oxy]benzylidene}-1-benzothiophen-3(2H)-one
Smiles: [O-][N+](=O)c1ccc(cc1)COc1cccc(c1)/C=C/1\Sc2c(C1=O)cccc2

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Molecular Weight: 389.43
Empirical Formula: C22H15NO4S

Physical State: Dry powder
Available Amount: 119 mg

Lipinsky:
logP: 5.067
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 97
Number of rings: 4

     

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