COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL043419
Chemical Name: 4-tert-butyl-2-{(E)-[(3-cyano-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)imino]methyl}phenolate
Smiles: N#Cc1c(/N=C/c2cc(ccc2[O-])C(C)(C)C)sc2c1CC[NH+](C2)C

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Molecular Weight: 353.49
Empirical Formula: C20H23N3OS

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 4.357
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 91
Number of rings: 3

     

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