COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473567
Chemical Name: (2E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-{3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)COc1cc(F)ccc1[N+](=O)[O-])OC)/C(=O)NCc1ccc2c(c1)OCO2

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Molecular Weight: 505.46
Empirical Formula: C26H20FN3O7

Physical State: Dry powder
Available Amount: 106 mg

Lipinsky:
logP: 3.973
Rotatable bonds: 8
H-donors: 1
H-acceptors: 7
PSA: 135
Number of rings: 4

     

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