COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK373228
Chemical Name: 3-[7-(2,4-dimethoxyphenyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-yl]-4-hydroxy-6-methyl-2H-pyran-2-one
Smiles: COc1cc(OC)ccc1C1SCCN=C(C1)c1c(O)cc(oc1=O)C

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Molecular Weight: 375.45
Empirical Formula: C19H21NO5S

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 1.894
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 102
Number of rings: 3

     

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