COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054904
Chemical Name: (8E)-7-[(2E)-3-chlorobut-2-en-1-yl]-8-{(2E)-[1-(2-hydroxyphenyl)ethylidene]hydrazinylidene}-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: C/C(=C\Cn1/c(=N/N=C(/c2ccccc2O)\C)/[nH]c2c1c(=O)n(c(=O)n2C)C)/Cl

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Molecular Weight: 416.87
Empirical Formula: C19H21ClN6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.492
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 100
Number of rings: 3

     

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