COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK049096
Chemical Name: 2-{[2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-1H-isoindole-1,3(2H)-dione
Smiles: O=C1N(CC2c3ccccc3CCN2S(=O)(=O)c2cccc3c2nsn3)C(=O)c2c1cccc2

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Molecular Weight: 490.56
Empirical Formula: C24H18N4O4S2

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 4.615
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 137
Number of rings: 6

     

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