COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055253
Chemical Name: (2E)-(5-bromo-1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]ethanoate
Smiles: CCN1C(=O)/C(=C(\C(=O)[O-])/Sc2[nH]nc([nH+]2)C)/c2c1ccc(c2)Br

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Molecular Weight: 409.26
Empirical Formula: C15H13BrN4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.512
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 128
Number of rings: 3

     

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