COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK719201
Chemical Name: methyl2-({(E)-[5-cyano-4-methyl-2,6-dioxo-1-(prop-2-en-1-yl)-1,6-dihydropyridin-3(2H)-ylidene]methyl}amino)-4,5-dimethoxybenzoate
Smiles: C=CCN1C(=O)/C(=C/Nc2cc(OC)c(cc2C(=O)OC)OC)/C(=C(C1=O)C#N)C

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Molecular Weight: 411.41
Empirical Formula: C21H21N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.473
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 117
Number of rings: 2

     

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