COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK094844
Chemical Name: 8-{(2E)-2-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinyl}-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Br/C(=C\c1ccccc1)/C=N/Nc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)[nH]c(=O)n2C

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Molecular Weight: 513.78
Empirical Formula: C22H18BrClN6O2

Physical State: Dry powder
Available Amount: 401 mg

Lipinsky:
logP: 5.179
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 91
Number of rings: 4

     

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