COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL054254
Chemical Name: (8S,8aR,11aS)-8-(1,3-benzodioxol-5-ylcarbonyl)-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)c2ccc3c(c2)OCO3)C=Cc2c1cccc2)[N+](=O)[O-]

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Molecular Weight: 539.5
Empirical Formula: C29H21N3O8

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.114
Rotatable bonds: 2
H-donors: 0
H-acceptors: 8
PSA: 131
Number of rings: 7

     

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