COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL152645
Chemical Name: 3-(4-benzylpiperazin-1-yl)-4-[(2-chlorobenzyl)amino]cyclobut-3-ene-1,2-dione
Smiles: O=C1C(=O)C(=C1NCc1ccccc1Cl)N1CCN(CC1)Cc1ccccc1

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Molecular Weight: 395.89
Empirical Formula: C22H22ClN3O2

Physical State: Dry powder
Available Amount: 318 mg

Lipinsky:
logP: 3.119
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 52
Number of rings: 4

     

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