COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK557948
Chemical Name: (4aR,4bS,7aR,8S)-8-(2,2-dimethylpropanoyl)-6-(5-methoxy-2-methyl-4-nitrophenyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1cc(c(cc1[N+](=O)[O-])C)N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@@H]2C=CC=N1)C(=O)C(C)(C)C

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Molecular Weight: 440.46
Empirical Formula: C22H24N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.027
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 125
Number of rings: 4

     

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