COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK813474
Chemical Name: ethyl4-[({[3-cyano-6-(thiophen-2-yl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)amino]benzoate
Smiles: CCOC(=O)c1ccc(cc1)NC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)c1cccs1

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Molecular Weight: 491.51
Empirical Formula: C22H16F3N3O3S2

Physical State: Dry powder
Available Amount: 101 mg

Lipinsky:
logP: 6.856
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 145
Number of rings: 3

     

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