COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK556403
Chemical Name: (4aS,4bR,7aS,8R)-8-(2,2-dimethylpropanoyl)-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](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C)[N+](=O)[O-]

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Molecular Weight: 426.43
Empirical Formula: C21H22N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.867
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 125
Number of rings: 4

     

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