COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK170391
Chemical Name: (5Z)-1-(1,3-benzodioxol-5-yl)-5-{4-[(3-nitrobenzyl)oxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C\c1ccc(cc1)OCc1cccc(c1)[N+](=O)[O-])c1ccc2c(c1)OCO2

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Molecular Weight: 487.43
Empirical Formula: C25H17N3O8

Physical State: Dry powder
Available Amount: 77 mg

Lipinsky:
logP: 3.845
Rotatable bonds: 2
H-donors: 1
H-acceptors: 8
PSA: 139
Number of rings: 5

     

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