COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK544967
Chemical Name: (2E)-3-[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-4-methylphenyl]prop-2-enoicacid
Smiles: OC(=O)/C=C/c1ccc(c(c1)S(=O)(=O)N1CCc2c(C1)cccc2)C

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Molecular Weight: 357.43
Empirical Formula: C19H19NO4S

Physical State: Dry powder
Available Amount: 393 mg

Lipinsky:
logP: 3.992
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 83
Number of rings: 3

     

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