COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563986
Chemical Name: 2-bromo-4-chloro-6-[(E)-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]imino}methyl]phenolate
Smiles: CCOC(=O)c1c(/N=C/c2cc(Cl)cc(c2[O-])Br)sc2c1CC[NH+](C2)C

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Molecular Weight: 457.78
Empirical Formula: C18H18BrClN2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.184
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 94
Number of rings: 3

     

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