COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL326075
Chemical Name: ethyl4-({N'-cyano-N-[3-(trifluoromethyl)phenyl]carbamimidoyl}sulfanyl)-3-oxobutanoate
Smiles: CCOC(=O)CC(=O)CS/C(=N\C#N)/Nc1cccc(c1)C(F)(F)F

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Molecular Weight: 373.36
Empirical Formula: C15H14F3N3O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.006
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 116
Number of rings: 1

     

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