COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK594847
Chemical Name: 4-{3-[(1-oxophthalazin-2(1H)-yl)methyl]-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl}benzoicacid
Smiles: OC(=O)c1ccc(cc1)n1c(=S)[nH]nc1Cn1ncc2c(c1=O)cccc2

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Molecular Weight: 379.4
Empirical Formula: C18H13N5O3S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 0.785
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 129
Number of rings: 4

     

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