COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524774
Chemical Name: 4-hydroxy-3-[7-(3-hydroxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-2H-pyran-2-one
Smiles: Oc1cccc(c1)C1SCCN=C(C1)c1c(O)cc(oc1=O)C

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Molecular Weight: 331.39
Empirical Formula: C17H17NO4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.447
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 104
Number of rings: 3

     

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