COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK712868
Chemical Name: 2-butyl-7-{4-[2-nitro-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)c1ccc(cc1[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 482.49
Empirical Formula: C20H21F3N6O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.578
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 122
Number of rings: 4

     

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