COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK959923
Chemical Name: methyl5-({[4-cyano-1-(trifluoromethyl)-5,6-dihydrobenzo[h]isoquinolin-3-yl]sulfanyl}methyl)furan-2-carboxylate
Smiles: COC(=O)c1ccc(o1)CSc1nc(c2c(c1C#N)CCc1c2cccc1)C(F)(F)F

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Molecular Weight: 444.43
Empirical Formula: C22H15F3N2O3S

Physical State: Dry powder
Available Amount: 54 mg

Lipinsky:
logP: 6.145
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 101
Number of rings: 4

     

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