COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL324206
Chemical Name: 4-hydroxy-6-methyl-3-[2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2H-pyran-2-one
Smiles: Cc1cc(O)c(c(=O)o1)C1=Nc2ccccc2SC(C1)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 408.43
Empirical Formula: C21H16N2O5S

Physical State: Dry powder
Available Amount: 168 mg

Lipinsky:
logP: 3.198
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 130
Number of rings: 4

     

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