COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525484
Chemical Name: 3-[2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-hydroxy-6-methyl-2H-pyran-2-one
Smiles: Cc1cc(O)c(c(=O)o1)C1=Nc2ccccc2SC(C1)c1ccc2c(c1)OCO2

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Molecular Weight: 407.45
Empirical Formula: C22H17NO5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.33
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 102
Number of rings: 5

     

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