COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK886616
Chemical Name: ethyl6-({2-[(4-chloro-2,5-dimethoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(2-ethoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1OCC)C#N)SCC(=O)Nc1cc(OC)c(cc1OC)Cl

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Molecular Weight: 574.05
Empirical Formula: C27H28ClN3O7S

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 6.774
Rotatable bonds: 11
H-donors: 2
H-acceptors: 7
PSA: 161
Number of rings: 3

     

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