COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK850418
Chemical Name: 2-{[4-(1,3-benzodioxol-5-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}phthalazin-1(2H)-one
Smiles: S=c1[nH]nc(n1c1ccc2c(c1)OCO2)Cn1ncc2c(c1=O)cccc2

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Molecular Weight: 379.4
Empirical Formula: C18H13N5O3S

Physical State: Dry powder
Available Amount: 297 mg

Lipinsky:
logP: 0.971
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 110
Number of rings: 5

     

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