COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK187890
Chemical Name: 5-{3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: S=C1NC(=O)C(=Cc2ccc(c(c2)Cl)Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)C(=O)N1

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Molecular Weight: 471.8
Empirical Formula: C18H9ClF3N3O5S

Physical State: Dry powder
Available Amount: 110 mg

Lipinsky:
logP: 3.843
Rotatable bonds: 3
H-donors: 2
H-acceptors: 5
PSA: 145
Number of rings: 3

     

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