COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK006136
Chemical Name: 8-[(2E)-2-(butan-2-ylidene)hydrazinyl]-3-methyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC/C(=N/Nc1nc2c(n1Cc1ccc(cc1)C)c(=O)[nH]c(=O)n2C)/C

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Molecular Weight: 354.41
Empirical Formula: C18H22N6O2

Physical State: Dry powder
Available Amount: 360 mg

Lipinsky:
logP: 2.393
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 91
Number of rings: 3

     

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