COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL267871
Chemical Name: 3-{[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-6-(4-methylbenzyl)[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one
Smiles: Cc1ccc(cc1)Cc1nn2c(SCC(=O)c3ccc(c(c3)C)C)nnc2[nH]c1=O

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Molecular Weight: 419.51
Empirical Formula: C22H21N5O2S

Available Amount: 0 mg

Lipinsky:
logP: 4.148
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 114
Number of rings: 4

     

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