COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL327557
Chemical Name: ethyl2-{[(2-chlorophenyl)carbonyl]amino}-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoroalaninate
Smiles: CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCCC2)NC(=O)c1ccccc1Cl

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Molecular Weight: 499.94
Empirical Formula: C22H21ClF3N3O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 8.515
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 119
Number of rings: 3

     

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