COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001362
Chemical Name: 2-ethoxy-4-{(Z)-[5-imino-2-(4-methylphenyl)-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}phenyl4-methylbenzenesulfonate
Smiles: CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1ccc(cc1)C

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Molecular Weight: 560.65
Empirical Formula: C28H24N4O5S2

Physical State: Dry powder
Available Amount: 32 mg

Lipinsky:
logP: 4.514
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 5

     

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