COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL171491
Chemical Name: (5Z)-3-ethyl-5-{4-methoxy-3-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzylidene}-2-thioxoimidazolidin-4-one
Smiles: CCN1C(=S)N/C(=C\c2ccc(c(c2)Cn2cnc(n2)[N+](=O)[O-])OC)/C1=O

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Molecular Weight: 388.41
Empirical Formula: C16H16N6O4S

Physical State: Dry powder
Available Amount: 10 mg

Lipinsky:
logP: 1.338
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 150
Number of rings: 3

     

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