COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037129
Chemical Name: 4-bromo-2-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-ium-2-yl)-6-iodophenolate
Smiles: C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1cc(Br)cc(c1[O-])I)O

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Molecular Weight: 520.19
Empirical Formula: C16H15BrIN3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.648
Rotatable bonds: 2
H-donors: 3
H-acceptors: 2
PSA: 100
Number of rings: 4

     

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