COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558357
Chemical Name: (4aR,4bS,7aR,8S)-8-[(4-fluorophenyl)carbonyl]-6-(2-methoxy-5-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(cc2)F)N=CC=C1)[N+](=O)[O-]

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Molecular Weight: 464.41
Empirical Formula: C23H17FN4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.366
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 125
Number of rings: 5

     

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