COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552802
Chemical Name: (6aS,6bR,9aS,10R)-8-(2-methoxy-5-nitrophenyl)-N-(4-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-10-carboxamide
Smiles: COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1N([C@H]2C(=O)Nc2ccc(cc2)[N+](=O)[O-])c2ccccc2C=C1)[N+](=O)[O-]

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Molecular Weight: 555.5
Empirical Formula: C28H21N5O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.514
Rotatable bonds: 1
H-donors: 1
H-acceptors: 8
PSA: 170
Number of rings: 6

     

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