COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL005729
Chemical Name: 7-[(2E)-3-chlorobut-2-en-1-yl]-8-{[2-(diethylamino)ethyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN(CCNc1nc2c(n1C/C=C(/Cl)\C)c(=O)n(c(=O)n2C)C)CC

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Molecular Weight: 382.89
Empirical Formula: C17H27ClN6O2

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 3.382
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 73
Number of rings: 2

     

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