COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK065522
Chemical Name: 8-[(2E)-but-2-en-1-ylsulfanyl]-7-[2-hydroxy-3-(naphthalen-1-yloxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C=C/CSc1nc2c(n1CC(COc1cccc3c1cccc3)O)c(=O)[nH]c(=O)n2C

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Molecular Weight: 452.53
Empirical Formula: C23H24N4O4S

Physical State: Dry powder
Available Amount: 415 mg

Lipinsky:
logP: 4.617
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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