COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552926
Chemical Name: 13-imino-9,10-dimethoxy-3,3-dimethyl-1-oxo-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolinium
Smiles: COc1cc2c(cc1OC)CC[NH+]1C2=CC(=N)C2=C1CC(CC2=O)(C)C

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Saltdata: Cl-
Molecular Weight: 353.44
Empirical Formula: C21H25N2O3

Physical State: Dry powder
Available Amount: 56 mg

Lipinsky:
logP: 1.417
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 63
Number of rings: 4

     

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