COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053432
Chemical Name: (8E)-8-[(2E)-(2-chlorobenzylidene)hydrazinylidene]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1/C=N/N=c/1\[nH]c2c(n1Cc1cccc3c1cccc3)c(=O)n(c(=O)n2C)C

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Molecular Weight: 472.93
Empirical Formula: C25H21ClN6O2

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 5.074
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 80
Number of rings: 5

     

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