COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL315025
Chemical Name: 4-[1-(3-bromophenyl)-5-hydroxy-6,8-dihydro-1H-imidazo[4,5-e][1,4]thiazepin-8-yl]benzoicacid
Smiles: Brc1cccc(c1)n1cnc2c1C(SCC(=N2)O)c1ccc(cc1)C(=O)O

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Molecular Weight: 444.31
Empirical Formula: C19H14BrN3O3S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 4.52
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 113
Number of rings: 4

     

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