COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK338609
Chemical Name: (2Z)-N-(1,3-benzodioxol-5-yl)-3-[3-(3,5-dinitrophenoxy)phenyl]prop-2-enamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)/C=C\c1cccc(c1)Oc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 449.38
Empirical Formula: C22H15N3O8

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 6.146
Rotatable bonds: 3
H-donors: 1
H-acceptors: 8
PSA: 148
Number of rings: 4

     

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