COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK031733
Chemical Name: ethyl(2E)-3-{1-[2-(4-bromophenoxy)ethyl]-2-methyl-1H-indol-3-yl}-2-cyanoprop-2-enoate
Smiles: CCOC(=O)/C(=C/c1c(C)n(c2c1cccc2)CCOc1ccc(cc1)Br)/C#N

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Molecular Weight: 453.34
Empirical Formula: C23H21BrN2O3

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 5.992
Rotatable bonds: 7
H-donors: 0
H-acceptors: 3
PSA: 64
Number of rings: 3

     

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