COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK583002
Chemical Name: (1Z)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)-4-[4-(morpholin-4-ylsulfonyl)phenyl]butan-2-one
Smiles: COc1cc2/C(=C/C(=O)CCc3ccc(cc3)S(=O)(=O)N3CCOCC3)/NCCc2cc1OC

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Molecular Weight: 486.59
Empirical Formula: C25H30N2O6S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.575
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 102
Number of rings: 4

     

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