COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK834968
Chemical Name: 8-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-7-[(2E)-3-chlorobut-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C\Cn1c(SCC(=O)c2ccc(cc2)Br)nc2c1c(=O)[nH]c(=O)n2C)/Cl

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Molecular Weight: 483.77
Empirical Formula: C18H16BrClN4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.909
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 109
Number of rings: 3

     

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