COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL313152
Chemical Name: 4-(1,3-benzothiazol-2-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)butan-1-one
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CCCc1nc2c(s1)cccc2

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Molecular Weight: 396.51
Empirical Formula: C22H24N2O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.067
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 79
Number of rings: 4

     

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