COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544155
Chemical Name: (8S,8aR,11aS)-N-(4-chlorophenyl)-10-(2-methoxy-5-nitrophenyl)-9,11-dioxo-8a,9,10,11,11a,11b-hexahydro-8H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinoline-8-carboxamide
Smiles: COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)C1N([C@@H]2C(=O)Nc2ccc(cc2)Cl)C=Cc2c1cccc2)[N+](=O)[O-]

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Molecular Weight: 544.95
Empirical Formula: C28H21ClN4O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.233
Rotatable bonds: 1
H-donors: 1
H-acceptors: 6
PSA: 124
Number of rings: 6

     

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