COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK547552
Chemical Name: (3aS,6aS)-3-[(4-nitrophenyl)carbonyl]-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Smiles: O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1C(F)(F)F)NN=C2C(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 432.32
Empirical Formula: C19H11F3N4O5

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 1.165
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 124
Number of rings: 4

     

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