COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525453
Chemical Name: 4-hydroxy-6-methyl-3-[7-(3,4,5-trimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-2H-pyran-2-one
Smiles: COc1cc(cc(c1OC)OC)C1SCCN=C(C1)c1c(O)cc(oc1=O)C

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Molecular Weight: 405.47
Empirical Formula: C20H23NO6S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.622
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 111
Number of rings: 3

     

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