COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558693
Chemical Name: (4aS,4bR,7aS,8R)-6-(2,5-dimethoxyphenyl)-8-(2,2-dimethylpropanoyl)-7a,8-dihydro-4aH-pyrrolo[3',4':3,4]pyrrolo[1,2-b]pyridazine-5,7(4bH,6H)-dione
Smiles: COc1ccc(c(c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=CC=N1)C(=O)C(C)(C)C)OC

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Molecular Weight: 411.46
Empirical Formula: C22H25N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.936
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 88
Number of rings: 4

     

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