COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK023742
Chemical Name: 3-methyl-7-(4-methylbenzyl)-8-{(2E)-2-[(2E)-3-phenylprop-2-en-1-ylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(N/N=C/C=C/c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 414.47
Empirical Formula: C23H22N6O2

Physical State: Dry powder
Available Amount: 427 mg

Lipinsky:
logP: 4.726
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 91
Number of rings: 4

     

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