COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK130966
Chemical Name: ethyl4-amino-2-{[1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyrimidine-5-carboxylate
Smiles: CCOC(=O)c1cnc(nc1N)SC1CC(=O)N(C1=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 417.4
Empirical Formula: C17H15N5O6S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 2.812
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 186
Number of rings: 3

     

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