COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK583203
Chemical Name: 1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanone
Smiles: COc1cc2CN(CCc2cc1OC)C(=O)CN1CCN(CC1)S(=O)(=O)c1ccccc1

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Molecular Weight: 459.57
Empirical Formula: C23H29N3O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.26
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 87
Number of rings: 4

     

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