COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK553137
Chemical Name: (4aS,4bR,7aS,8R)-6-(4-butoxyphenyl)-8-[(3-nitrophenyl)carbonyl]-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: CCCCOc1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)c2cccc(c2)[N+](=O)[O-])N=CC=C1

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Molecular Weight: 488.5
Empirical Formula: C26H24N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.833
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 125
Number of rings: 5

     

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