COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL200457
Chemical Name: (2E)-3-[3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-4,5-dimethoxyphenyl]prop-2-enoicacid
Smiles: COc1c(OC)cc(cc1S(=O)(=O)N1CCc2c(C1)cccc2)/C=C/C(=O)O

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Molecular Weight: 403.46
Empirical Formula: C20H21NO6S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 3.799
Rotatable bonds: 6
H-donors: 1
H-acceptors: 6
PSA: 101
Number of rings: 3

     

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