COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056314
Chemical Name: (8E)-8-[(2E)-butan-2-ylidenehydrazinylidene]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: CC/C(=N/N=c/1\[nH]c2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C)/C

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Molecular Weight: 388.86
Empirical Formula: C18H21ClN6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.395
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 80
Number of rings: 3

     

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