COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK540669
Chemical Name: 7-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-8-{[2-(diethylamino)ethyl]amino}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CCNc1nc2c(n1CC(COc1ccc(cc1Cl)Cl)O)c(=O)[nH]c(=O)n2C)CC

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Molecular Weight: 499.4
Empirical Formula: C21H28Cl2N6O4

Physical State: Dry powder
Available Amount: 321 mg

Lipinsky:
logP: 3.285
Rotatable bonds: 10
H-donors: 3
H-acceptors: 4
PSA: 111
Number of rings: 3

     

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