COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK579943
Chemical Name: 13-(3,4-diethoxyphenyl)-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
Smiles: CCOc1cc(ccc1OCC)C1C=C2N(C3=C1C(=O)CC(C3)(C)C)CCc1c2cc(OC)c(c1)OC

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Molecular Weight: 503.64
Empirical Formula: C31H37NO5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.718
Rotatable bonds: 7
H-donors: 0
H-acceptors: 5
PSA: 57
Number of rings: 5

     

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