COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526219
Chemical Name: ethyl6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(thiophen-2-ylsulfanyl)methyl]-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(CSc2cccs2)n(c2c1c(CN(C)C)c(O)c(c2)Br)C

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Saltdata: HCl
Molecular Weight: 483.45
Empirical Formula: C20H23BrN2O3S2

Physical State: Dry powder
Available Amount: 259 mg

Lipinsky:
logP: 4.617
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 108
Number of rings: 3

     

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