COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055421
Chemical Name: (8E)-7-(2-chlorobenzyl)-1,3-dimethyl-8-{(2E)-[(2E)-3-phenylprop-2-en-1-ylidene]hydrazinylidene}-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Cn1/c(=N/N=C/C=C/c2ccccc2)/[nH]c2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 448.91
Empirical Formula: C23H21ClN6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.728
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 80
Number of rings: 4

     

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