COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL416412
Chemical Name: (2E)-2-cyano-N-(3,4-dimethylphenyl)-3-[4-(morpholin-4-yl)-3-nitrophenyl]prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)[N+](=O)[O-])N1CCOCC1)/C(=O)Nc1ccc(c(c1)C)C

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Molecular Weight: 406.44
Empirical Formula: C22H22N4O4

Physical State: Dry powder
Available Amount: 260 mg

Lipinsky:
logP: 4.943
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 111
Number of rings: 3

     

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