COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK562696
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-methoxyphenolate
Smiles: COc1cc(Br)cc(c1[O-])C1N=C(O)c2c(N1)sc1c2CC[NH+](C1)C

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Molecular Weight: 424.32
Empirical Formula: C17H18BrN3O3S

Physical State: Dry powder
Available Amount: 317 mg

Lipinsky:
logP: 1.299
Rotatable bonds: 3
H-donors: 3
H-acceptors: 3
PSA: 109
Number of rings: 4

     

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