COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK764105
Chemical Name: 2-{2-methoxy-4-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenoxy}-5-nitrobenzonitrile
Smiles: COc1cc(ccc1Oc1ccc(cc1C#N)[N+](=O)[O-])/C=C/1\Sc2c(C1=O)cccc2

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Molecular Weight: 430.44
Empirical Formula: C23H14N2O5S

Physical State: Dry powder
Available Amount: 107 mg

Lipinsky:
logP: 3.708
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 130
Number of rings: 4

     

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