COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK099127
Chemical Name: (5E)-1-(1,3-benzodioxol-5-yl)-5-{4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
Smiles: O=C1NC(=O)N(C(=O)/C/1=C/c1ccc(cc1)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)c1ccc2c(c1)OCO2

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Molecular Weight: 541.4
Empirical Formula: C25H14F3N3O8

Physical State: Dry powder
Available Amount: 200 mg

Lipinsky:
logP: 4.226
Rotatable bonds: 1
H-donors: 1
H-acceptors: 8
PSA: 139
Number of rings: 5

     

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