COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047321
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]phenolate
Smiles: C[NH+]1CCc2c(C1)sc(c2C(=O)OC(C)(C)C)/N=C/c1cc(Br)ccc1[O-]

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Molecular Weight: 451.38
Empirical Formula: C20H23BrN2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.806
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 3

     

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