COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK071906
Chemical Name: (5E)-1-(4-fluorophenyl)-5-(2-methoxy-5-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)F)[N+](=O)[O-]

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Molecular Weight: 401.37
Empirical Formula: C18H12FN3O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 3.38
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 136
Number of rings: 3

     

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