COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL311604
Chemical Name: 3-(4-chlorophenyl)-4-(1H-pyrrol-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(CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cn1cccc1

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Molecular Weight: 437.85
Empirical Formula: C20H19ClF3N5O

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.817
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 55
Number of rings: 4

     

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