COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK553095
Chemical Name: (6aS,6bR,9aS,10R)-8-(2-methyl-4-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: O=C([C@@H]1N2c3ccccc3C=C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(cc1C)[N+](=O)[O-])Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 539.5
Empirical Formula: C28H21N5O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.893
Rotatable bonds: 0
H-donors: 1
H-acceptors: 7
PSA: 161
Number of rings: 6

     

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