COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK635286
Chemical Name: 1,7-dibenzyl-3-methyl-8-{(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=N\Nc1nc2c(n1Cc1ccccc1)c(=O)n(c(=O)n2C)Cc1ccccc1)/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 523.55
Empirical Formula: C28H25N7O4

Physical State: Dry powder
Available Amount: 167 mg

Lipinsky:
logP: 5.551
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 128
Number of rings: 5

     

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