COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL151862
Chemical Name: 1'-(butan-2-yl)-3',5'-dimethyl-5-[3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1'H,2H-3,4'-bipyrazole
Smiles: CCC(n1nc(c(c1C)c1[nH]nc(c1)c1sc2n(n1)c(nn2)C(F)(F)F)C)C

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Molecular Weight: 410.43
Empirical Formula: C16H17F3N8S

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 4.012
Rotatable bonds: 4
H-donors: 1
H-acceptors: 0
PSA: 117
Number of rings: 4

     

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