COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK595665
Chemical Name: 9,10-dimethoxy-3,3-dimethyl-13-(3-nitrophenyl)-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
Smiles: COc1cc2CCN3C(=CC(C4=C3CC(C)(C)CC4=O)c3cccc(c3)[N+](=O)[O-])c2cc1OC

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Molecular Weight: 460.53
Empirical Formula: C27H28N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.649
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 84
Number of rings: 5

     

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