COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037877
Chemical Name: 4-{[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino}-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Smiles: COc1cc(ccc1OC)c1n[nH]c(=S)n1/N=C/c1cc(Br)c(c(c1)OC)O

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Molecular Weight: 465.33
Empirical Formula: C18H17BrN4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.34
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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