COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK550081
Chemical Name: (4aS,4bR,7aS,8R)-6-(2-methoxy-5-nitrophenyl)-8-[(3-nitrophenyl)carbonyl]-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)c2cccc(c2)[N+](=O)[O-])N=CC=C1)[N+](=O)[O-]

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Molecular Weight: 491.42
Empirical Formula: C23H17N5O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.136
Rotatable bonds: 2
H-donors: 0
H-acceptors: 8
PSA: 170
Number of rings: 5

     

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