COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK569939
Chemical Name: (8E)-8-[(2E)-benzylidenehydrazinylidene]-1,3-dimethyl-7-[(2E)-3-phenylprop-2-en-1-yl]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1[nH]/c(=N\N=C\c1ccccc1)/n2C/C=C/c1ccccc1

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Molecular Weight: 414.47
Empirical Formula: C23H22N6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.699
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 80
Number of rings: 4

     

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