COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK887206
Chemical Name: 2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-nitrophenyl)acetamide
Smiles: N#CC1=C(SCC(=O)Nc2ccccc2[N+](=O)[O-])NC(C(C1c1ccccc1Cl)C(=O)c1cccs1)(O)C(F)(F)F

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Molecular Weight: 623.03
Empirical Formula: C26H18ClF3N4O5S2

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 8.349
Rotatable bonds: 7
H-donors: 3
H-acceptors: 5
PSA: 201
Number of rings: 4

     

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