COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150392
Chemical Name: (8E)-7-(3-bromobenzyl)-8-{(2E)-[(2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]hydrazinylidene}-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: Br/C(=C\c1ccccc1)/C=N/N=c/1\[nH]c2c(n1Cc1cccc(c1)Br)c(=O)n(c(=O)n2C)C

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Molecular Weight: 572.26
Empirical Formula: C23H20Br2N6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.223
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 80
Number of rings: 4

     

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