COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL345042
Chemical Name: 7-[(2E)-3-chlorobut-2-en-1-yl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C\Cn1c(NCCCn2cncc2)nc2c1c(=O)n(c(=O)n2C)C)/Cl

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Molecular Weight: 391.86
Empirical Formula: C17H22ClN7O2

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 2.264
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 88
Number of rings: 3

     

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