COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK538855
Chemical Name: (8R,8aR,11aS,11bS)-8-acetyl-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)[C@@H]1N([C@H]2C(=O)C)C=Cc2c1cccc2)[N+](=O)[O-]

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Molecular Weight: 433.42
Empirical Formula: C23H19N3O6

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 3.044
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 112
Number of rings: 5

     

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