COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK103048
Chemical Name: (5E)-1-(2-fluorophenyl)-5-(4-hydroxy-3-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: O=C1NC(=S)N(C(=O)/C/1=C/c1ccc(c(c1)[N+](=O)[O-])O)c1ccccc1F

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Saltdata: HCI
Molecular Weight: 387.35
Empirical Formula: C17H10FN3O5S

Physical State: Dry powder
Available Amount: 320 mg

Lipinsky:
logP: 3.169
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 147
Number of rings: 3

     

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