COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK553012
Chemical Name: (4aS,4bR,7aS,8R)-6-(2-methyl-4-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: Cc1cc(ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 475.42
Empirical Formula: C23H17N5O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.514
Rotatable bonds: 1
H-donors: 0
H-acceptors: 7
PSA: 161
Number of rings: 5

     

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