COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK563913
Chemical Name: 2-{(E)-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)imino]methyl}-6-ethoxyphenolate
Smiles: CCOc1cccc(c1[O-])/C=N/c1sc2c(c1C#N)CC[NH+](C2)C

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Molecular Weight: 341.43
Empirical Formula: C18H19N3O2S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 3.076
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 101
Number of rings: 3

     

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