COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382766
Chemical Name: 2-bromo-4-{(1E)-2-cyano-3-[(4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenylacetate
Smiles: N#C/C(=C\c1ccc(c(c1)Br)OC(=O)C)/C(=O)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 430.21
Empirical Formula: C18H12BrN3O5

Physical State: Dry powder
Available Amount: 75 mg

Lipinsky:
logP: 3.985
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 125
Number of rings: 2

     

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