COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL001925
Chemical Name: 8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCN1CCN(CC1)c1nc2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C

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Molecular Weight: 448.52
Empirical Formula: C24H28N6O3

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 2.488
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 85
Number of rings: 5

     

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