COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL004204
Chemical Name: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2Cc1cccc2c1cccc2)SCCN1CCCCC1

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Molecular Weight: 463.6
Empirical Formula: C25H29N5O2S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 5.763
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 86
Number of rings: 5

     

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