COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK856548
Chemical Name: (5Z)-5-{3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-2,6-dihydroxypyrimidin-4(5H)-one
Smiles: OC1=NC(=O)/C(=C\c2ccc(c(c2)Cl)Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)/C(=N1)O

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Molecular Weight: 455.73
Empirical Formula: C18H9ClF3N3O6

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 3.261
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 137
Number of rings: 3

     

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