COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK682516
Chemical Name: 7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1cc(ccc1OC)C(=O)Cn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCN(CC1)C

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Molecular Weight: 456.5
Empirical Formula: C22H28N6O5

Physical State: Dry powder
Available Amount: 61 mg

Lipinsky:
logP: 1.383
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 100
Number of rings: 4

     

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