COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147882
Chemical Name: 3-[(1E)-1-(2-{[4-(2-chlorobenzyl)piperazin-1-ium-1-yl]acetyl}hydrazinylidene)ethyl]phenolate
Smiles: [O-]c1cccc(c1)/C(=N/NC(=O)C[NH+]1CCN(CC1)Cc1ccccc1Cl)/C

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Molecular Weight: 400.91
Empirical Formula: C21H25ClN4O2

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 2.658
Rotatable bonds: 5
H-donors: 2
H-acceptors: 2
PSA: 72
Number of rings: 3

     

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