COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK182281
Chemical Name: (2E)-N-(3-bromophenyl)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(OC)c(c(c1)[N+](=O)[O-])O)/C(=O)Nc1cccc(c1)Br

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Molecular Weight: 418.2
Empirical Formula: C17H12BrN3O5

Physical State: Dry powder
Available Amount: 151 mg

Lipinsky:
logP: 4.521
Rotatable bonds: 4
H-donors: 2
H-acceptors: 5
PSA: 128
Number of rings: 2

     

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