COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052542
Chemical Name: ethyl4-(4-chlorophenyl)-5-cyano-2-hydroxy-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-phenyl-1,2,3,4-tetrahydropyridine-3-carboxylate
Smiles: CCOC(=O)C1C(c2ccc(cc2)Cl)C(=C(NC1(O)c1ccccc1)SCC(=O)Nc1cccc(c1)OC)C#N

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Molecular Weight: 578.09
Empirical Formula: C30H28ClN3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.713
Rotatable bonds: 8
H-donors: 3
H-acceptors: 5
PSA: 145
Number of rings: 4

     

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