COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK472879
Chemical Name: (2E)-2-cyano-3-{3-[(2,6-dichlorobenzyl)oxy]phenyl}-N-(2-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cccc(c1)OCc1c(Cl)cccc1Cl)/C(=O)Nc1ccccc1[N+](=O)[O-]

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Molecular Weight: 468.3
Empirical Formula: C23H15Cl2N3O4

Physical State: Dry powder
Available Amount: 111 mg

Lipinsky:
logP: 6.469
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 107
Number of rings: 3

     

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