COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL079639
Chemical Name: methyl4-({[5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Smiles: C=CCn1c(SCc2ccc(cc2)C(=O)OC)nnc1CSc1nc(C)cc(n1)C

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Molecular Weight: 441.58
Empirical Formula: C21H23N5O2S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.149
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 133
Number of rings: 3

     

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