COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK663589
Chemical Name: 1-{2-[(4-benzyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
Smiles: [O-][N+](=O)c1cc(ccc1N1CCN(CC1)CCSc1nnc(n1Cc1ccccc1)c1ccccc1)C(F)(F)F

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Molecular Weight: 568.62
Empirical Formula: C28H27F3N6O2S

Physical State: Dry powder
Available Amount: 4 mg

Lipinsky:
logP: 8.816
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 108
Number of rings: 5

     

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