COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564719
Chemical Name: 4-bromo-2-[(E)-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]imino}methyl]-6-methoxyphenolate
Smiles: CCOC(=O)c1c(/N=C/c2cc(Br)cc(c2[O-])OC)sc2c1CC[NH+](C2)C

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Molecular Weight: 453.36
Empirical Formula: C19H21BrN2O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.105
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 103
Number of rings: 3

     

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