COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL313929
Chemical Name: 3-(4-chlorophenyl)-4-(1H-tetrazol-1-yl)-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]butan-1-one
Smiles: Clc1ccc(cc1)C(Cn1cnnn1)CC(=O)N1CCn2c(C1)nnc2C(F)(F)F

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Molecular Weight: 440.82
Empirical Formula: C17H16ClF3N8O

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 1.682
Rotatable bonds: 4
H-donors: 0
H-acceptors: 1
PSA: 94
Number of rings: 4

     

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