COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK004115
Chemical Name: (2E)-3-{1-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-1H-indol-3-yl}-2-(4-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1c(C)n(c2c1cccc2)CCOc1cc(C)cc(c1)C)/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 451.52
Empirical Formula: C28H25N3O3

Available Amount: 0 mg

Lipinsky:
logP: 7.784
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 83
Number of rings: 4

     

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