COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057312
Chemical Name: (5E)-1-(2,4-dimethylphenyl)-4,6-dioxo-5-{[(pyridinium-3-ylmethyl)amino]methylidene}-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: Cc1ccc(c(c1)C)N1C(=NC(=O)/C(=C\NCc2ccc[nH+]c2)/C1=O)[S-]

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Molecular Weight: 366.44
Empirical Formula: C19H18N4O2S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 2.567
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 75
Number of rings: 3

     

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