COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL017975
Chemical Name: 2-[(4-isothiocyanatophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Smiles: S=C=Nc1ccc(cc1)S(=O)(=O)N1CCc2c(C1)cccc2

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Molecular Weight: 330.43
Empirical Formula: C16H14N2O2S2

Physical State: Dry powder
Available Amount: 1200 mg

Lipinsky:
logP: 4.821
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 90
Number of rings: 3

     

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