COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549261
Chemical Name: 5-[3-(1H-benzimidazol-2-ylsulfanyl)prop-1-yn-1-yl]-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline
Smiles: COc1c2c(CCN(C2C#CCSc2nc3c([nH]2)cccc3)C)cc2c1OCO2

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Molecular Weight: 407.49
Empirical Formula: C22H21N3O3S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.842
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 84
Number of rings: 5

     

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