COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK887399
Chemical Name: methyl6-{[2-(1,3-benzodioxol-5-ylamino)-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)Nc1ccc2c(c1)OCO2

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Molecular Weight: 499.93
Empirical Formula: C23H18ClN3O6S

Physical State: Dry powder
Available Amount: 25 mg

Lipinsky:
logP: 5.332
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 152
Number of rings: 4

     

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