COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK085158
Chemical Name: 8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(SC/C=C(/Cl)\C)nc2c1c(=O)[nH]c(=O)n2C)COc1ccc(cc1)Cl

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Molecular Weight: 471.36
Empirical Formula: C19H20Cl2N4O4S

Physical State: Dry powder
Available Amount: 534 mg

Lipinsky:
logP: 4.758
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 121
Number of rings: 3

     

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