COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK636088
Chemical Name: 7-[(2E)-3-chlorobut-2-en-1-yl]-8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: C/C(=C\Cn1c(SCC(=O)c2ccc(cc2)Cl)nc2c1c(O)nc(=O)n2C)/Cl

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Molecular Weight: 439.32
Empirical Formula: C18H16Cl2N4O3S

Physical State: Dry powder
Available Amount: 184 mg

Lipinsky:
logP: 4.479
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 113
Number of rings: 3

     

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