COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK548321
Chemical Name: methyl6-({2-[(3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)OC)C#N)SCC(=O)Nc1cccc(c1)Cl

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Molecular Weight: 485.95
Empirical Formula: C23H20ClN3O5S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 5.169
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 142
Number of rings: 3

     

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