COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK922093
Chemical Name: 8-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccc(c(c1)Cl)Cl)CSc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

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Molecular Weight: 399.26
Empirical Formula: C15H12Cl2N4O3S

Physical State: Dry powder
Available Amount: 53 mg

Lipinsky:
logP: 4.102
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 111
Number of rings: 3

     

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