COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382690
Chemical Name: 4-{(1E)-2-cyano-3-[(2-methyl-4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenylacetate
Smiles: N#C/C(=C\c1ccc(c(c1)OC)OC(=O)C)/C(=O)Nc1ccc(cc1C)[N+](=O)[O-]

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Molecular Weight: 395.37
Empirical Formula: C20H17N3O6

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 3.624
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 134
Number of rings: 2

     

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