COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK377991
Chemical Name: ethylN-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(ethoxycarbonyl)amino]-3,3,3-trifluoroalaninate
Smiles: CCOC(=O)NC(C(F)(F)F)(C(=O)OCC)Nc1sc2c(c1C#N)CCCC2

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Molecular Weight: 419.42
Empirical Formula: C17H20F3N3O4S

Physical State: Dry powder
Available Amount: 235 mg

Lipinsky:
logP: 7.477
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 128
Number of rings: 2

     

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