COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK600018
Chemical Name: (2Z)-2-(7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-ylidene)-1-{1-[(2-fluorophenyl)sulfonyl]piperidin-4-yl}ethanone
Smiles: O=C(C1CCN(CC1)S(=O)(=O)c1ccccc1F)/C=C/1\NCCc2c1cc1OCOc1c2

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Molecular Weight: 458.51
Empirical Formula: C23H23FN2O5S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.346
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 5

     

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