COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL323581
Chemical Name: 4-hydroxy-6-methyl-3-[2-(4-nitrophenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2H-pyran-2-one
Smiles: Cc1cc(O)c(c(=O)o1)C1=Nc2cc(ccc2SC(C1)c1ccc(cc1)[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 476.43
Empirical Formula: C22H15F3N2O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.77
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 130
Number of rings: 4

     

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