COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK553847
Chemical Name: butyl4-[(6aS,6bR,9aS,10R)-10-[(3-nitrophenyl)carbonyl]-7,9-dioxo-6b,7,9a,10-tetrahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-8(9H)-yl]benzoate
Smiles: CCCCOC(=O)c1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 565.58
Empirical Formula: C32H27N3O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.989
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 129
Number of rings: 6

     

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