COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK891226
Chemical Name: 4-(2-chlorophenyl)-6-hydroxy-2-[(2-methylprop-2-en-1-yl)sulfanyl]-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: N#CC1=C(SCC(=C)C)NC(C(C1c1ccccc1Cl)C(=O)c1cccs1)(O)C(F)(F)F

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Molecular Weight: 498.98
Empirical Formula: C22H18ClF3N2O2S2

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 8.444
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 126
Number of rings: 3

     

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