COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL168542
Chemical Name: 1-{2-[5-(4-methoxyphenyl)-3-(naphthalen-1-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-5-(4-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Smiles: COc1ccc(cc1)C1CC(=NN1C(=O)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)[N+](=O)[O-])c1cccc2c1cccc2

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Molecular Weight: 603.59
Empirical Formula: C32H25N7O6

Physical State: Dry powder
Available Amount: 15 mg

Lipinsky:
logP: 2.259
Rotatable bonds: 3
H-donors: 0
H-acceptors: 6
PSA: 153
Number of rings: 7

     

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