COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL051247
Chemical Name: (5E)-1-(4-fluorobenzyl)-5-{[(4-methylpiperazin-4-ium-1-yl)amino]methylidene}-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: C[NH+]1CCN(CC1)N/C=C/1\C(=O)N=C(N(C1=O)Cc1ccc(cc1)F)[S-]

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Molecular Weight: 377.44
Empirical Formula: C17H20FN5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.825
Rotatable bonds: 1
H-donors: 2
H-acceptors: 2
PSA: 69
Number of rings: 3

     

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