COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK586940
Chemical Name: ethyl6-({2-[(3-chloro-4-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-hydroxy-3,4-dihydropyridine-3-carboxylate
Smiles: CCOC(=O)C1C(=NC(=C(C1c1ccccc1OCC)C#N)SCC(=O)Nc1ccc(c(c1)Cl)C)O

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Molecular Weight: 528.03
Empirical Formula: C26H26ClN3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.402
Rotatable bonds: 10
H-donors: 2
H-acceptors: 5
PSA: 146
Number of rings: 3

     

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