COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK887394
Chemical Name: methyl6-({2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccccc1Cl)C#N)SCC(=O)Nc1cccc(c1C)Cl

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Molecular Weight: 504.39
Empirical Formula: C23H19Cl2N3O4S

Physical State: Dry powder
Available Amount: 52 mg

Lipinsky:
logP: 6.309
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 133
Number of rings: 3

     

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