COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK573341
Chemical Name: (1Z)-4-[4-(morpholin-4-ylsulfonyl)phenyl]-1-(3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-7(8H)-ylidene)butan-2-one
Smiles: O=C(/C=C/1\NCCc2c1cc1OCCCOc1c2)CCc1ccc(cc1)S(=O)(=O)N1CCOCC1

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Molecular Weight: 498.6
Empirical Formula: C26H30N2O6S

Physical State: Dry powder
Available Amount: 109 mg

Lipinsky:
logP: 2.896
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 102
Number of rings: 5

     

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