COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053878
Chemical Name: (5Z)-1-(3,5-dimethylphenyl)-5-{[5-(4-methylpiperazin-4-ium-1-yl)furan-2-yl]methylidene}-4,6-dioxo-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: Cc1cc(C)cc(c1)N1C(=NC(=O)/C(=C/c2ccc(o2)N2CC[NH+](CC2)C)/C1=O)[S-]

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Molecular Weight: 424.52
Empirical Formula: C22H24N4O3S

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 3.826
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 70
Number of rings: 4

     

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