COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK725769
Chemical Name: methyl6-({2-[(4-bromophenyl)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)Nc1ccc(cc1)Br

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Molecular Weight: 534.82
Empirical Formula: C22H17BrClN3O4S

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 6.333
Rotatable bonds: 6
H-donors: 2
H-acceptors: 4
PSA: 133
Number of rings: 3

     

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