COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK887271
Chemical Name: prop-2-en-1-yl5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-6-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,4-dihydropyridine-3-carboxylate
Smiles: C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)O)C#N)SCC(=O)Nc1cccc(c1)C(F)(F)F

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Molecular Weight: 559.57
Empirical Formula: C27H24F3N3O5S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.423
Rotatable bonds: 10
H-donors: 3
H-acceptors: 5
PSA: 145
Number of rings: 3

     

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