COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL493127
Chemical Name: 2-hydroxy-3-[7-(3-iodophenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-6-methyl-4H-pyran-4-one
Smiles: Ic1cccc(c1)C1SCCN=C(C1)c1c(O)oc(cc1=O)C

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Molecular Weight: 441.29
Empirical Formula: C17H16INO3S

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 2.332
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 84
Number of rings: 3

     

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