COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525188
Chemical Name: 3-[2-(5-bromo-2-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-hydroxy-6-methyl-2H-pyran-2-one
Smiles: Brc1ccc(c(c1)C1Sc2ccccc2N=C(C1)c1c(O)cc(oc1=O)C)O

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Molecular Weight: 458.33
Empirical Formula: C21H16BrNO4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.739
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 104
Number of rings: 4

     

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