COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK790853
Chemical Name: ethyl(2Z)-5-amino-7-(1,3-benzodioxol-5-yl)-2-(1,3-benzodioxol-5-ylmethylidene)-6-cyano-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Smiles: CCOC(=O)C1=c2s/c(=C\c3ccc4c(c3)OCO4)/c(=O)n2C(=C(C1c1ccc2c(c1)OCO2)C#N)N

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Molecular Weight: 517.52
Empirical Formula: C26H19N3O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.313
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 158
Number of rings: 6

     

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