COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526524
Chemical Name: octyl5-(acetyloxy)-6-bromo-2-[(carbamimidoylsulfanyl)methyl]-1-methyl-1H-indole-3-carboxylate
Smiles: CCCCCCCCOC(=O)c1c(CSC(=N)N)n(c2c1cc(OC(=O)C)c(c2)Br)C

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Saltdata: HBr
Molecular Weight: 512.47
Empirical Formula: C22H30BrN3O4S

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 5.51
Rotatable bonds: 14
H-donors: 3
H-acceptors: 4
PSA: 132
Number of rings: 2

     

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