COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK593635
Chemical Name: 13-(8-bromo-2,3-dihydro-1,4-benzodioxin-6-yl)-9,10-dimethoxy-3,3-dimethyl-2,3,4,6,7,13-hexahydro-1H-isoquino[2,1-a]quinolin-1-one
Smiles: COc1cc2CCN3C(=CC(C4=C3CC(C)(C)CC4=O)c3cc(Br)c4c(c3)OCCO4)c2cc1OC

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Molecular Weight: 552.46
Empirical Formula: C29H30BrNO5

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 5.276
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 57
Number of rings: 6

     

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