COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL343876
Chemical Name: 7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-8-[(3-methylphenyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C\Cn1c(Nc2cccc(c2)C)nc2c1c(=O)n(c(=O)n2C)C)/Cl

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Molecular Weight: 373.84
Empirical Formula: C18H20ClN5O2

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 4.378
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 70
Number of rings: 3

     

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