COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL091111
Chemical Name: [4-(3-nitrophenyl)-2-thioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidin-5-yl](phenyl)methanone
Smiles: S=C1NC(=C(C(N1)c1cccc(c1)[N+](=O)[O-])C(=O)c1ccccc1)C(F)(F)F

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Molecular Weight: 407.37
Empirical Formula: C18H12F3N3O3S

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 5.598
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 119
Number of rings: 3

     

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