COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK532436
Chemical Name: 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
Smiles: Sc1nnc(n1/N=C/c1ccc2c(c1)OCO2)C(F)(F)F

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Molecular Weight: 316.26
Empirical Formula: C11H7F3N4O2S

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 3.066
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 100
Number of rings: 3

     

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