COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL057364
Chemical Name: (8E)-1-(4-chlorobenzyl)-3,7-dimethyl-8-[(2Z)-pentan-2-ylidenehydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: CCC/C(=N\N=c\1/[nH]c2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1)Cl)/C

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Molecular Weight: 402.88
Empirical Formula: C19H23ClN6O2

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 2.778
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 80
Number of rings: 3

     

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