COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK570028
Chemical Name: ethyl5-(acetyloxy)-6-bromo-1-(4-bromophenyl)-2-[(carbamimidoylsulfanyl)methyl]-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c(CSC(=N)N)n(c2c1cc(OC(=O)C)c(c2)Br)c1ccc(cc1)Br

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Saltdata: HBr
Molecular Weight: 569.27
Empirical Formula: C21H19Br2N3O4S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 5.309
Rotatable bonds: 8
H-donors: 3
H-acceptors: 4
PSA: 132
Number of rings: 3

     

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