COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL367479
Chemical Name: 5-[5-nitro-2-(pyrrolidin-1-yl)benzylidene]-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: O=C1/C(=C/c2cc(ccc2N2CCCC2)[N+](=O)[O-])/C(=O)N(C(=S)N1c1ccccc1)c1ccccc1

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Molecular Weight: 498.56
Empirical Formula: C27H22N4O4S

Physical State: Dry powder
Available Amount: 912 mg

Lipinsky:
logP: 5.589
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 121
Number of rings: 5

     

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