COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL048286
Chemical Name: 1-benzyl-6-bromo-4-[(dimethylammonio)methyl]-3-(ethoxycarbonyl)-2-[(phenylsulfanyl)methyl]-1H-indol-5-olate
Smiles: CCOC(=O)c1c2c(C[NH+](C)C)c([O-])c(cc2n(c1CSc1ccccc1)Cc1ccccc1)Br

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Molecular Weight: 553.52
Empirical Formula: C28H29BrN2O3S

Physical State: Dry powder
Available Amount: 199 mg

Lipinsky:
logP: 6.38
Rotatable bonds: 8
H-donors: 1
H-acceptors: 3
PSA: 84
Number of rings: 4

     

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