COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382699
Chemical Name: 4-{(1E)-2-cyano-3-[(2-methyl-4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl4-methoxybenzoate
Smiles: COc1ccc(cc1)C(=O)Oc1ccc(cc1)/C=C(/C(=O)Nc1ccc(cc1C)[N+](=O)[O-])\C#N

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Molecular Weight: 457.44
Empirical Formula: C25H19N3O6

Physical State: Dry powder
Available Amount: 48 mg

Lipinsky:
logP: 5.841
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 134
Number of rings: 3

     

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