COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038727
Chemical Name: 4-bromo-2-[(E)-{[3-(tert-butoxycarbonyl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]imino}methyl]-6-methoxyphenolate
Smiles: COc1cc(Br)cc(c1[O-])/C=N/c1sc2c(c1C(=O)OC(C)(C)C)CC[NH+](C2)C

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Molecular Weight: 481.41
Empirical Formula: C21H25BrN2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.802
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 103
Number of rings: 3

     

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