COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL225085
Chemical Name: 4-{(E)-[2-(2-cyclohexylethyl)-5-imino-7-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-methoxyphenylmethanesulfonate
Smiles: COc1cc(ccc1OS(=O)(=O)C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)CCC1CCCCC1

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Molecular Weight: 490.6
Empirical Formula: C22H26N4O5S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.623
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 155
Number of rings: 4

     

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