COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK632042
Chemical Name: 2-{[6-hydroxy-3-methyl-2-oxo-7-(2-phenylethyl)-3,7-dihydro-2H-purin-8-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
Smiles: O=C(CSc1nc2c(n1CCc1ccccc1)c(O)nc(=O)n2C)N/N=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 507.53
Empirical Formula: C23H21N7O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.294
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 183
Number of rings: 4

     

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