COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK552787
Chemical Name: butyl4-[(6aR,6bS,9aR,10S)-10-[(4-nitrophenyl)carbamoyl]-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)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 580.6
Empirical Formula: C32H28N4O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.274
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 141
Number of rings: 6

     

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