COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK860680
Chemical Name: 4-(2-chlorophenyl)-6-hydroxy-2-(prop-2-en-1-ylsulfanyl)-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
Smiles: C=CCSC1=C(C#N)C(C(C(N1)(O)C(F)(F)F)C(=O)c1cccs1)c1ccccc1Cl

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Molecular Weight: 484.95
Empirical Formula: C21H16ClF3N2O2S2

Physical State: Dry powder
Available Amount: 247 mg

Lipinsky:
logP: 7.892
Rotatable bonds: 7
H-donors: 2
H-acceptors: 2
PSA: 126
Number of rings: 3

     

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