COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382733
Chemical Name: 2-bromo-4-{(1E)-3-[(4-chloro-2-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-6-methoxyphenylacetate
Smiles: N#C/C(=C\c1cc(Br)c(c(c1)OC)OC(=O)C)/C(=O)Nc1ccc(cc1[N+](=O)[O-])Cl

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Molecular Weight: 494.69
Empirical Formula: C19H13BrClN3O6

Physical State: Dry powder
Available Amount: 22 mg

Lipinsky:
logP: 4.867
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 134
Number of rings: 2

     

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