COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK718927
Chemical Name: 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-4-[4-(methylsulfonyl)piperazin-1-yl]butane-1,4-dione
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)C

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Molecular Weight: 439.53
Empirical Formula: C20H29N3O6S

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 0.568
Rotatable bonds: 5
H-donors: 0
H-acceptors: 6
PSA: 104
Number of rings: 3

     

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