COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK834732
Chemical Name: 7-hexyl-3-methyl-8-[(2E)-2-(1-phenylbutylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCC/C(=N\Nc1nc2c(n1CCCCCC)c(=O)[nH]c(=O)n2C)/c1ccccc1

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Molecular Weight: 410.52
Empirical Formula: C22H30N6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.097
Rotatable bonds: 8
H-donors: 2
H-acceptors: 2
PSA: 91
Number of rings: 3

     

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