COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK536257
Chemical Name: 7-[2-(4-bromophenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1ccc(cc1)C(=O)Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)c1ccccc1

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Molecular Weight: 537.42
Empirical Formula: C25H25BrN6O3

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 3.302
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 5

     

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