COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK549443
Chemical Name: 4-{[(6aS,6bR,9aS,10R)-8-(2-methoxy-5-nitrophenyl)-7,9-dioxo-6b,7,8,9,9a,10-hexahydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinolin-10-yl]carbonyl}phenylacetate
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](N1[C@H]2C=Cc2c1cccc2)C(=O)c1ccc(cc1)OC(=O)C)[N+](=O)[O-]

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Molecular Weight: 553.53
Empirical Formula: C30H23N3O8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.029
Rotatable bonds: 2
H-donors: 0
H-acceptors: 8
PSA: 139
Number of rings: 6

     

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