COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL135884
Chemical Name: 4-methyl-1-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)CCCc1nnc2n1c1ccsc1c(=O)n2C

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Molecular Weight: 504.54
Empirical Formula: C23H23F3N6O2S

Physical State: Dry powder
Available Amount: 37 mg

Lipinsky:
logP: 3.553
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 102
Number of rings: 5

     

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