COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL175892
Chemical Name: 1-{2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Smiles: O=C(N1N=C(CC1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)CN1N=NC2C1C(=O)N(C2=O)c1c(F)c(F)cc(c1F)F

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Molecular Weight: 595.47
Empirical Formula: C27H17F4N7O5

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 1.35
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 143
Number of rings: 6

     

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