COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL408748
Chemical Name: 3-[4-(2-chlorobenzyl)piperazin-1-yl]-4-{[3-(dimethylamino)propyl]amino}cyclobut-3-ene-1,2-dione
Smiles: CN(CCCNC1=C(C(=O)C1=O)N1CCN(CC1)Cc1ccccc1Cl)C

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Molecular Weight: 390.91
Empirical Formula: C20H27ClN4O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.51
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 55
Number of rings: 3

     

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