COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK580993
Chemical Name: (4E)-2-[2-chloro-5-(trifluoromethyl)phenyl]-4-{[(2-hydroxyethyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: OCCN/C=C/1\c2ccccc2C(=O)N(C1=O)c1cc(ccc1Cl)C(F)(F)F

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Molecular Weight: 410.78
Empirical Formula: C19H14ClF3N2O3

Physical State: Dry powder
Available Amount: 285 mg

Lipinsky:
logP: 3.453
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 69
Number of rings: 3

     

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