COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK674386
Chemical Name: (2Z)-2-[4-(4-methylpiperazin-1-yl)-3-nitrobenzylidene]-1-benzothiophen-3(2H)-one
Smiles: CN1CCN(CC1)c1ccc(cc1[N+](=O)[O-])/C=C/1\Sc2c(C1=O)cccc2

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Molecular Weight: 381.46
Empirical Formula: C20H19N3O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.787
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 94
Number of rings: 4

     

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