COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK964454
Chemical Name: ethyl1-({[4-cyano-1-(trifluoromethyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
Smiles: CCOC(=O)c1ccn(n1)CSc1nc(c2c(c1C#N)CCCC2)C(F)(F)F

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Molecular Weight: 410.42
Empirical Formula: C18H17F3N4O2S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.106
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 106
Number of rings: 3

     

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