COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552654
Chemical Name: (6aS,6bR,9aS,10R)-8-(4-butoxyphenyl)-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: CCCCOc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 552.59
Empirical Formula: C31H28N4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.212
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 124
Number of rings: 6

     

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