COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL525135
Chemical Name: 4-hydroxy-3-[7-(3-methoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-2H-pyran-2-one
Smiles: COc1cccc(c1)C1SCCN=C(C1)c1c(O)cc(oc1=O)C

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Molecular Weight: 345.42
Empirical Formula: C18H19NO4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.099
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 93
Number of rings: 3

     

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