COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL317723
Chemical Name: methyl4-[5-hydroxy-1-(4-methoxyphenyl)-6,8-dihydro-1H-imidazo[4,5-e][1,4]thiazepin-8-yl]benzoate
Smiles: COc1ccc(cc1)n1cnc2c1C(SCC(=N2)O)c1ccc(cc1)C(=O)OC

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Molecular Weight: 409.47
Empirical Formula: C21H19N3O4S

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 3.965
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 111
Number of rings: 4

     

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