COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183800
Chemical Name: (2E)-3-{3-bromo-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyano-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)Br)OCc1ccc(cc1)[N+](=O)[O-])/C(=O)NCCc1c[nH]c2c1cccc2

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Molecular Weight: 545.39
Empirical Formula: C27H21BrN4O4

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.054
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 123
Number of rings: 4

     

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