COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472876
Chemical Name: (2E)-3-[3-bromo-5-methoxy-4-(propan-2-yloxy)phenyl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)OC)OC(C)C)/C(=O)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 460.28
Empirical Formula: C20H18BrN3O5

Physical State: Dry powder
Available Amount: 173 mg

Lipinsky:
logP: 5.301
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 2

     

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