COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK887398
Chemical Name: methyl6-{[2-(3-acetylphenyl)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)Cl)C#N)SCC(=O)c1cccc(c1)C(=O)C

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Molecular Weight: 482.94
Empirical Formula: C24H19ClN2O5S

Physical State: Dry powder
Available Amount: 16 mg

Lipinsky:
logP: 5.321
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 138
Number of rings: 3

     

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