COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK523803
Chemical Name: 2-butyl-7-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Smiles: CCCCc1nn2c(s1)nc(cc2=O)N1CCN(CC1)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

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Molecular Weight: 527.48
Empirical Formula: C20H20F3N7O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.546
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 168
Number of rings: 4

     

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