COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK002222
Chemical Name: 2-methyl-5-nitro-4-(2-oxopropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Smiles: CC(=O)Cn1c(nn(c1=O)C)[N+](=O)[O-]

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Molecular Weight: 200.15
Empirical Formula: C6H8N4O4

Physical State: Dry powder
Available Amount: 7 mg

Lipinsky:
logP: -2.084
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 98
Number of rings: 1

     

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