COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK586958
Chemical Name: (4E)-2-(2,5-dimethoxyphenyl)-4-{[(3-methylbutyl)amino]methylidene}isoquinoline-1,3(2H,4H)-dione
Smiles: COc1ccc(c(c1)N1C(=O)/C(=C/NCCC(C)C)/c2c(C1=O)cccc2)OC

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Molecular Weight: 394.47
Empirical Formula: C23H26N2O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.31
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 67
Number of rings: 3

     

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