COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK474162
Chemical Name: 3-(1,3-benzodioxol-5-yl)-5-({[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Smiles: C=CCn1c(SCc2csc(n2)c2ccc(cc2)F)nnc1c1ccc2c(c1)OCO2

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Molecular Weight: 452.53
Empirical Formula: C22H17FN4O2S2

Physical State: Liquid
Available Amount: 1 mg

Lipinsky:
logP: 6.122
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 115
Number of rings: 5

     

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