COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK688236
Chemical Name: methyl6-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-3-[(trifluoroacetyl)amino]-1-benzothiophene-2-carboxylate
Smiles: COC(=O)c1sc2c(c1NC(=O)C(F)(F)F)ccc(c2)SCC(=O)Nc1ccc2c(c1)OCO2

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Molecular Weight: 512.49
Empirical Formula: C21H15F3N2O6S2

Physical State: Dry powder
Available Amount: 34 mg

Lipinsky:
logP: 6.121
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 156
Number of rings: 4

     

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