COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL176562
Chemical Name: 1-{2-[(7E)-7-(4-ethoxybenzylidene)-3-(4-ethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(pentafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Smiles: CCOc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OCC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1c(F)c(F)c(c(c1F)F)F

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Molecular Weight: 722.67
Empirical Formula: C36H31F5N6O5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 4.536
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 116
Number of rings: 7

     

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