COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK587448
Chemical Name: methyl5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(4-ethoxyphenyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Smiles: CCOc1ccc(cc1)C1C(=C(SCC(=O)Nc2c(C)cccc2C)N=C(C1C(=O)OC)O)C#N

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Molecular Weight: 493.58
Empirical Formula: C26H27N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.607
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 146
Number of rings: 3

     

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