COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK808791
Chemical Name: ethyl2-{[1-(butanoylamino)-2,2,2-trichloroethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCCC(=O)NC(C(Cl)(Cl)Cl)Nc1sc2c(c1C(=O)OCC)CCCC2

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Molecular Weight: 441.81
Empirical Formula: C17H23Cl3N2O3S

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 7.242
Rotatable bonds: 7
H-donors: 2
H-acceptors: 3
PSA: 95
Number of rings: 2

     

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