COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL514648
Chemical Name: (1Z)-1-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-3-(2,4-dimethoxyphenyl)propan-2-one
Smiles: COc1ccc(c(c1)OC)CC(=O)/C=C/1\NCCc2c1cc1OCOc1c2

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Molecular Weight: 367.4
Empirical Formula: C21H21NO5

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 3.308
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 66
Number of rings: 4

     

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