COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL056819
Chemical Name: (8Z)-7-(4-chlorobenzyl)-8-[(2E)-(1H-indol-3-ylmethylidene)hydrazinylidene]-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1/c(=N\N=C\c2c[nH]c3c2cccc3)/[nH]c2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 461.91
Empirical Formula: C23H20ClN7O2

Physical State: Dry powder
Available Amount: 210 mg

Lipinsky:
logP: 3.673
Rotatable bonds: 2
H-donors: 2
H-acceptors: 2
PSA: 96
Number of rings: 5

     

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