COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK596374
Chemical Name: (4E)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}-2-(2-methoxyphenyl)isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccccc1N1C(=O)/C(=C/NC2CCS(=O)(=O)C2)/c2c(C1=O)cccc2

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Molecular Weight: 412.47
Empirical Formula: C21H20N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.29
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 101
Number of rings: 4

     

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