COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL526085
Chemical Name: (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one
Smiles: COc1cc(C)c(c(c1C)C)/C=C/C(=O)CC1N(C)CCc2c1c(OC)c1c(c2)OCO1

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Molecular Weight: 437.54
Empirical Formula: C26H31NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 5.427
Rotatable bonds: 6
H-donors: 0
H-acceptors: 5
PSA: 57
Number of rings: 4

     

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