COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK574582
Chemical Name: (4E)-2-(3,4-dimethylphenyl)-4-{[(1,1-dioxidotetrahydrothiophen-3-yl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: O=C1N(c2ccc(c(c2)C)C)C(=O)c2c(/C/1=C\NC1CCS(=O)(=O)C1)cccc2

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Molecular Weight: 410.49
Empirical Formula: C22H22N2O4S

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 2.295
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 91
Number of rings: 4

     

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