COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041397
Chemical Name: (5E)-5-{[2,5-dimethyl-1-(quinolinium-6-yl)-1H-pyrrol-3-yl]methylidene}-6-hydroxy-4-oxo-4,5-dihydropyrimidine-2-thiolate
Smiles: [S-]C1=NC(=O)/C(=C/c2cc(n(c2C)c2ccc3c(c2)ccc[nH+]3)C)/C(=N1)O

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Molecular Weight: 376.44
Empirical Formula: C20H16N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.844
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 81
Number of rings: 4

     

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