COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK409576
Chemical Name: (2E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enamide
Smiles: N#C/C(=C\c1ccc(o1)c1ccc(cc1)[N+](=O)[O-])/C(=O)NCc1ccc2c(c1)OCO2

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Molecular Weight: 417.38
Empirical Formula: C22H15N3O6

Physical State: Dry powder
Available Amount: 222 mg

Lipinsky:
logP: 3.985
Rotatable bonds: 4
H-donors: 1
H-acceptors: 6
PSA: 130
Number of rings: 4

     

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