COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870368
Chemical Name: 3-benzyl-1-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro[1,3]thiazolo[2,3-f]purin-6-yl)methyl]pyridinium
Smiles: O=c1c2c(nc3n2c(cs3)C[n+]2cccc(c2)Cc2ccccc2)n(c(=O)n1C)C

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Saltdata: Cl-
Molecular Weight: 418.5
Empirical Formula: C22H20N5O2S

Available Amount: 0 mg

Lipinsky:
logP: -1.174
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 90
Number of rings: 5

     

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