COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL415806
Chemical Name: 8-{4-[(Z)-(3-amino-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy}-7-(2,4-dichlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1cc(ccc1Oc1nc2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C)/C=C/1\SC(=S)N(C1=O)N

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Molecular Weight: 619.51
Empirical Formula: C25H20Cl2N6O5S2

Physical State: Dry powder
Available Amount: 54 mg

Lipinsky:
logP: 5.087
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 180
Number of rings: 5

     

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