COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK573230
Chemical Name: 8-(4-benzylpiperidin-1-yl)-7-[(2Z)-3-chlorobut-2-en-1-yl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: C/C(=C/Cn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1)/Cl

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Molecular Weight: 427.93
Empirical Formula: C22H26ClN5O2

Physical State: Dry powder
Available Amount: 277 mg

Lipinsky:
logP: 3.828
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 73
Number of rings: 4

     

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