COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538484
Chemical Name: methyl5-cyano-6-({2-[(3,4-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: COC(=O)C1C(=O)NC(=C(C1c1ccc(cc1)C(C)C)C#N)SCC(=O)Nc1ccc(c(c1)C)C

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Molecular Weight: 491.61
Empirical Formula: C27H29N3O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.79
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 133
Number of rings: 3

     

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