COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK469952
Chemical Name: (2E)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{5-[(4-nitrophenoxy)methyl]furan-2-yl}prop-2-enamide
Smiles: N#C/C(=C\c1ccc(o1)COc1ccc(cc1)[N+](=O)[O-])/C(=O)Nc1ccc2c(c1)OCCO2

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Molecular Weight: 447.4
Empirical Formula: C23H17N3O7

Physical State: Dry powder
Available Amount: 324 mg

Lipinsky:
logP: 4.516
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 139
Number of rings: 4

     

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