COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870393
Chemical Name: 3-benzyl-1-[(1-methyl-2,4-dioxo-1,2,3,4-tetrahydro[1,3]thiazolo[2,3-f]purin-6-yl)methyl]pyridinium
Smiles: O=c1[nH]c(=O)n(c2c1n1c(n2)scc1C[n+]1cccc(c1)Cc1ccccc1)C

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Saltdata: Cl-
Molecular Weight: 404.47
Empirical Formula: C21H18N5O2S

Available Amount: 0 mg

Lipinsky:
logP: -1.884
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 98
Number of rings: 5

     

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