COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK187099
Chemical Name: 5-{4-[(4-nitrobenzyl)oxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: O=C1NC(=S)NC(=O)C1=Cc1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 383.38
Empirical Formula: C18H13N3O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.072
Rotatable bonds: 1
H-donors: 2
H-acceptors: 5
PSA: 145
Number of rings: 3

     

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