COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK611055
Chemical Name: N-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-2-{[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide
Smiles: CCc1n[nH]/c(=N\C(=O)CSc2nc3c(n2Cc2ccccc2F)c(=O)n(c(=O)n3C)C)/s1

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Molecular Weight: 489.55
Empirical Formula: C20H20FN7O3S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.966
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 162
Number of rings: 4

     

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