COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041598
Chemical Name: (8E)-3,7-dimethyl-1-(4-methylbenzyl)-8-[(2E)-(pyridin-2-ylmethylidene)hydrazinylidene]-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(=O)n(C)c2c(c1=O)n(C)/c(=N/N=C/c1ccccn1)/[nH]2

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Molecular Weight: 403.44
Empirical Formula: C21H21N7O2

Physical State: Dry powder
Available Amount: 309 mg

Lipinsky:
logP: 2.382
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 93
Number of rings: 4

     

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