COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK376960
Chemical Name: (5E)-5-{3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-2-thioxoimidazolidin-4-one
Smiles: S=C1NC(=O)/C(=C\c2cc(Br)c(c(c2)Br)Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)/N1

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Molecular Weight: 567.14
Empirical Formula: C17H8Br2F3N3O4S

Physical State: Dry powder
Available Amount: 42 mg

Lipinsky:
logP: 5.518
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 128
Number of rings: 3

     

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