COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK261321
Chemical Name: 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2Cc1ccccc1)NCc1ccc2c(c1)OCO2

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Molecular Weight: 419.44
Empirical Formula: C22H21N5O4

Physical State: Dry powder
Available Amount: 179 mg

Lipinsky:
logP: 3.544
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 5

     

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