COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL152444
Chemical Name: 3-(4-benzylpiperazin-1-yl)-4-[(2-hydroxypropyl)amino]cyclobut-3-ene-1,2-dione
Smiles: CC(CNC1=C(C(=O)C1=O)N1CCN(CC1)Cc1ccccc1)O

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Molecular Weight: 329.4
Empirical Formula: C18H23N3O3

Physical State: Dry powder
Available Amount: 317 mg

Lipinsky:
logP: 0.787
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 72
Number of rings: 3

     

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