COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK550001
Chemical Name: (4aS,4bR,7aS,8R)-8-[(3-nitrophenyl)carbonyl]-6-[3-(trifluoromethyl)phenyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: O=C1N(c2cccc(c2)C(F)(F)F)C(=O)[C@H]2[C@@H]1[C@@H]1C=CC=NN1[C@H]2C(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 484.39
Empirical Formula: C23H15F3N4O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.896
Rotatable bonds: 1
H-donors: 0
H-acceptors: 5
PSA: 115
Number of rings: 5

     

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