COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL176468
Chemical Name: 2,6-diamino-4-{5-bromo-2-[(4-chlorobenzyl)oxy]phenyl}-4H-thiopyran-3,5-dicarbonitrile
Smiles: N#CC1=C(N)SC(=C(C1c1cc(Br)ccc1OCc1ccc(cc1)Cl)C#N)N

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Molecular Weight: 473.78
Empirical Formula: C20H14BrClN4OS

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.633
Rotatable bonds: 3
H-donors: 4
H-acceptors: 1
PSA: 134
Number of rings: 3

     

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