COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK556319
Chemical Name: (8R,8aS,11aR)-8-(2,2-dimethylpropanoyl)-10-(2-methoxy-5-nitrophenyl)-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)C1N([C@H]2C(=O)C(C)(C)C)C=Cc2c1cccc2)[N+](=O)[O-]

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Molecular Weight: 475.5
Empirical Formula: C26H25N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.272
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 112
Number of rings: 5

     

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