COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK401836
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(4-nitrophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1ccc2c(c1)OCO2)/C(=O)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 337.29
Empirical Formula: C17H11N3O5

Physical State: Dry powder
Available Amount: 527 mg

Lipinsky:
logP: 3.964
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 117
Number of rings: 3

     

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