COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK546754
Chemical Name: (8S,8aR,11aS)-10-(2-methyl-4-nitrophenyl)-8-[(3-nitrophenyl)carbonyl]-11a,11b-dihydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-9,11(8aH,10H)-dione
Smiles: Cc1cc(ccc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)c2cccc(c2)[N+](=O)[O-])C=Cc2c1cccc2)[N+](=O)[O-]

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Molecular Weight: 524.49
Empirical Formula: C28H20N4O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.906
Rotatable bonds: 1
H-donors: 0
H-acceptors: 7
PSA: 149
Number of rings: 6

     

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