COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL005052
Chemical Name: 8-[(2-hydroxypropyl)sulfanyl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CSc1nc2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C)O

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Molecular Weight: 410.5
Empirical Formula: C21H22N4O3S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.067
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 4

     

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