COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK885700
Chemical Name: ethyl4-[({5-cyano-2-methyl-6-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4-phenyl-1,4-dihydropyridin-3-yl}carbonyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)C1=C(C)NC(=C(C1c1ccccc1)C#N)SCC(=O)Nc1cccc(c1)C(F)(F)F

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Molecular Weight: 620.65
Empirical Formula: C32H27F3N4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 7.2
Rotatable bonds: 6
H-donors: 3
H-acceptors: 4
PSA: 145
Number of rings: 4

     

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