COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK590183
Chemical Name: (4E)-2-(4-chlorophenyl)-4-{[(2-hydroxyethyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: OCCN/C=C\1/C(=O)N(c2ccc(cc2)Cl)C(=O)c2c1cccc2

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Molecular Weight: 342.78
Empirical Formula: C18H15ClN2O3

Physical State: Dry powder
Available Amount: 313 mg

Lipinsky:
logP: 2.808
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 69
Number of rings: 3

     

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