COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL520005
Chemical Name: 9-{[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl}-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2CN(C)CCc2c(c2c1OCO2)S(=O)(=O)N1CCC(CC1)c1nc2c(s1)cccc2

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Molecular Weight: 501.63
Empirical Formula: C24H27N3O5S2

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.675
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 117
Number of rings: 6

     

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