COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK712865
Chemical Name: 7-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Smiles: [O-][N+](=O)c1cc(cc(c1N1CCN(CC1)c1cc(=O)n2c(n1)sc(n2)C(C)C)[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 513.46
Empirical Formula: C19H18F3N7O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.831
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 168
Number of rings: 4

     

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