COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL532439
Chemical Name: 13-(3,4-dimethoxyphenyl)-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
Smiles: COc1cc(ccc1OC)C1C=C2c3cc(OC)c(cc3CCN2C2=C1C(=O)CC(C2)(C)C)OC

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Molecular Weight: 475.58
Empirical Formula: C29H33NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.656
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 57
Number of rings: 5

     

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