COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK677632
Chemical Name: methylN-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[(2-chlorophenyl)carbonyl]amino}-3,3,3-trifluoroalaninate
Smiles: COC(=O)C(C(F)(F)F)(NC(=O)c1ccccc1Cl)Nc1sc2c(c1C#N)CCC(C2)C(C)(C)C

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Molecular Weight: 527.99
Empirical Formula: C24H25ClF3N3O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 9.139
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 119
Number of rings: 3

     

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