COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526600
Chemical Name: (E)-N-(9,10-dimethoxy-3,3-dimethyl-1-oxo-1,2,3,4,6,7,11b,12-octahydro-13H-isoquino[2,1-a]quinolin-13-ylidene)glycine
Smiles: COc1cc2c(cc1OC)CCN1C2C/C(=N\CC(=O)O)/C2=C1CC(CC2=O)(C)C

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Molecular Weight: 412.49
Empirical Formula: C23H28N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.429
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 88
Number of rings: 4

     

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