COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL007010
Chemical Name: 7-[(2E)-3-chlorobut-2-en-1-yl]-8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C\Cn1c(NC2CCCCC2)nc2c1c(=O)n(c(=O)n2C)C)/Cl

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Molecular Weight: 365.86
Empirical Formula: C17H24ClN5O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.225
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 70
Number of rings: 3

     

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