COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052081
Chemical Name: (5E)-4,6-dioxo-5-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolinium-9-ylmethylidene)-1-[3-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine-2-thiolate
Smiles: O=C1N=C([S-])N(C(=O)/C/1=C/c1cc2CCC[NH+]3c2c(c1)CCC3)c1cccc(c1)C(F)(F)F

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Molecular Weight: 471.5
Empirical Formula: C24H20F3N3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.709
Rotatable bonds: 0
H-donors: 1
H-acceptors: 2
PSA: 54
Number of rings: 5

     

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