COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057200
Chemical Name: (8E)-1-benzyl-8-{(2Z)-[1-(4-hydroxy-3-methoxyphenyl)ethylidene]hydrazinylidene}-3,7-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: COc1cc(ccc1O)/C(=N\N=c\1/[nH]c2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1)/C

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Molecular Weight: 448.48
Empirical Formula: C23H24N6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.462
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 110
Number of rings: 4

     

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