COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040682
Chemical Name: (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-2-sulfanyl-1-[3-(trifluoromethyl)phenyl]pyrimidine-4,6(1H,5H)-dione
Smiles: O=C1N=C(S)N(C(=O)/C/1=C/c1ccc2c(c1)CCCN2Cc1ccccc1)c1cccc(c1)C(F)(F)F

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Molecular Weight: 521.56
Empirical Formula: C28H22F3N3O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.787
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 91
Number of rings: 5

     

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