COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525255
Chemical Name: ethyl5-(acetyloxy)-6-bromo-2-{[(2-cyano-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate
Smiles: CCOC(=O)c1c2cc(OC(=O)C)c(cc2n(c1CSC1=C(C#N)C(=O)CC(C1)(C)C)C)Br

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Molecular Weight: 533.44
Empirical Formula: C24H25BrN2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.409
Rotatable bonds: 8
H-donors: 0
H-acceptors: 5
PSA: 123
Number of rings: 3

     

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