COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK755319
Chemical Name: (2E)-2-(2-methoxy-5-nitrobenzylidene)-1-benzothiophen-3(2H)-one
Smiles: COc1ccc(cc1/C=C\1/Sc2c(C1=O)cccc2)[N+](=O)[O-]

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Molecular Weight: 313.33
Empirical Formula: C16H11NO4S

Physical State: Dry powder
Available Amount: 8 mg

Lipinsky:
logP: 3.778
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 97
Number of rings: 3

     

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